DCU

3,8-DIAMINO-5,10'-(TRIMETHYLAMMONIUM)DECYL-6-PHENYL PHENANTHRIDINIUM

Created:	2002-12-11
Last modified:	2020-06-05

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1 entries where DCU is found as a standalone ligand

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Chemical Details
Formal Charge	2
Atom Count	80
Chiral Atom Count	0
Bond Count	83
Aromatic Bond Count	23

2D diagram of DCU

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Chemical Component Summary
Name	3,8-DIAMINO-5,10'-(TRIMETHYLAMMONIUM)DECYL-6-PHENYL PHENANTHRIDINIUM
Synonyms	DECIDIUM
Systematic Name (OpenEye OEToolkits)	10-(3,8-diamino-6-phenyl-phenanthridin-5-ium-5-yl)decyl-trimethyl-azanium
Formula	C₃₂ H₄₄ N₄
Molecular Weight	484.719
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	c4c3c1ccc(cc1c(c2ccccc2)[n+](c3cc(N)c4)CCCCCCCCCC[N+](C)(C)C)N
SMILES	CACTVS	3.341	C[N+](C)(C)CCCCCCCCCC[n+]1c2cc(N)ccc2c3ccc(N)cc3c1c4ccccc4
SMILES	OpenEye OEToolkits	1.5.0	C[N+](C)(C)CCCCCCCCCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N
Canonical SMILES	CACTVS	3.341	C[N+](C)(C)CCCCCCCCCC[n+]1c2cc(N)ccc2c3ccc(N)cc3c1c4ccccc4
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[N+](C)(C)CCCCCCCCCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N
InChI	InChI	1.03	InChI=1S/C32H43N4/c1-36(2,3)22-14-9-7-5-4-6-8-13-21-35-31-24-27(34)18-20-29(31)28-19-17-26(33)23-30(28)32(35)25-15-11-10-12-16-25/h10-12,15-20,23-24,34H,4-9,13-14,21-22,33H2,1-3H3/q+1/p+1
InChIKey	InChI	1.03	VMVDKYYLBXQMAD-UHFFFAOYSA-O

Related Resource References

Resource Name	Reference
PubChem	101222954, 446395

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