PZ5

5-hept-6-ynyl-6-phenyl-phenanthridin-5-ium-3,8-diamine

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

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1 entries where PZ5 is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	55
Chiral Atom Count	0
Bond Count	58
Aromatic Bond Count	22

2D diagram of PZ5

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Chemical Component Summary
Name	5-hept-6-ynyl-6-phenyl-phenanthridin-5-ium-3,8-diamine
Systematic Name (OpenEye OEToolkits)	5-hept-6-ynyl-6-phenyl-phenanthridin-5-ium-3,8-diamine
Formula	C₂₆ H₂₆ N₃
Molecular Weight	380.505
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Nc1ccc2c3ccc(N)cc3[n+](CCCCCC#C)c(c4ccccc4)c2c1
SMILES	OpenEye OEToolkits	2.0.4	C#CCCCCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N
Canonical SMILES	CACTVS	3.385	Nc1ccc2c3ccc(N)cc3[n+](CCCCCC#C)c(c4ccccc4)c2c1
Canonical SMILES	OpenEye OEToolkits	2.0.4	C#CCCCCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N
InChI	InChI	1.03	InChI=1S/C26H25N3/c1-2-3-4-5-9-16-29-25-18-21(28)13-15-23(25)22-14-12-20(27)17-24(22)26(29)19-10-7-6-8-11-19/h1,6-8,10-15,17-18,28H,3-5,9,16,27H2/p+1
InChIKey	InChI	1.03	WJXZOVZRCNSPKF-UHFFFAOYSA-O

Related Resource References

Resource Name	Reference
PubChem	101166052, 136901691

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