5NZ

6-phenyl-5-[5-[3-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine

Created:	2015-10-29
Last modified:	2016-01-20

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2 entries where 5NZ is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	92
Chiral Atom Count	0
Bond Count	99
Aromatic Bond Count	38

2D diagram of 5NZ

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Chemical Component Summary
Name	6-phenyl-5-[5-[3-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine
Systematic Name (OpenEye OEToolkits)	6-phenyl-5-[5-[3-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine
Formula	C₄₁ H₄₃ N₈
Molecular Weight	647.834
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Nc1ccc2c3ccc(N)cc3[n+](CCCCCc4cnnn4CCNc5c6CCCCc6nc7ccccc57)c(c8ccccc8)c2c1
SMILES	OpenEye OEToolkits	2.0.4	c1ccc(cc1)c2c3cc(ccc3c4ccc(cc4[n+]2CCCCCc5cnnn5CCNc6c7ccccc7nc8c6CCCC8)N)N
Canonical SMILES	CACTVS	3.385	Nc1ccc2c3ccc(N)cc3[n+](CCCCCc4cnnn4CCNc5c6CCCCc6nc7ccccc57)c(c8ccccc8)c2c1
Canonical SMILES	OpenEye OEToolkits	2.0.4	c1ccc(cc1)c2c3cc(ccc3c4ccc(cc4[n+]2CCCCCc5cnnn5CCNc6c7ccccc7nc8c6CCCC8)N)N
InChI	InChI	1.03	InChI=1S/C41H42N8/c42-29-18-20-32-33-21-19-30(43)26-39(33)48(41(36(32)25-29)28-11-3-1-4-12-28)23-10-2-5-13-31-27-45-47-49(31)24-22-44-40-34-14-6-8-16-37(34)46-38-17-9-7-15-35(38)40/h1,3-4,6,8,11-12,14,16,18-21,25-27,43H,2,5,7,9-10,13,15,17,22-24,42H2,(H,44,46)/p+1
InChIKey	InChI	1.03	ALUZXISFDWHPFA-UHFFFAOYSA-O

Related Resource References

Resource Name	Reference
PubChem	11193070, 101360809
ChEMBL	CHEMBL4239268

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