2-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]-1-[4-[4-[4-[2-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]acetyl]phenyl]phenyl]phenyl]ethanone

C62H52N8O2+2 — CID 118287503

IUPAC2-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]-1-[4-[4-[4-[2-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]acetyl]phenyl]phenyl]phenyl]ethanone
SMILESCc1cc2nc3cc(C)c(NCC(=O)c4ccc(-c5ccc(-c6ccc(C(=O)CNc7cc8c(cc7C)nc7cc(C)c(N)cc7[n+]8-c7ccccc7)cc6)cc5)cc4)cc3[n+](-c3ccccc3)c2cc1N
InChIInChI=1S/C62H50N8O2/c1-37-27-53-57(31-49(37)63)69(47-11-7-5-8-12-47)59-33-51(39(3)29-55(59)67-53)65-35-61(71)45-23-19-43(20-24-45)41-15-17-42(18-16-41)44-21-25-46(26-22-44)62(72)36-66-52-34-60-56(30-40(52)4)68-54-28-38(2)50(64)32-58(54)70(60)48-13-9-6-10-14-48/h5-34H,35-36H2,1-4H3,(H4,63,64,65,66)/p+2
InChIKeyWZJOWUWILYALAY-UHFFFAOYSA-P
MW941.15 g/mol
LogP11.96
Rot. Bonds12

About 2-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]-1-[4-[4-[4-[2-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]acetyl]phenyl]phenyl]phenyl]ethanone

2-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]-1-[4-[4-[4-[2-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]acetyl]phenyl]phenyl]phenyl]ethanone (PubChem CID 118287503) has the molecular formula C62H52N8O2+2 and a molecular weight of 941.15 g/mol. Its IUPAC name is 2-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]-1-[4-[4-[4-[2-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]acetyl]phenyl]phenyl]phenyl]ethanone.

Molecular Properties

Compound Name2-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]-1-[4-[4-[4-[2-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]acetyl]phenyl]phenyl]phenyl]ethanone
PubChem CID118287503
Molecular FormulaC62H52N8O2+2
Molecular Weight941.15 g/mol
Exact Mass940.42
IUPAC Name2-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]-1-[4-[4-[4-[2-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]acetyl]phenyl]phenyl]phenyl]ethanone
SMILESCc1cc2nc3cc(C)c(NCC(=O)c4ccc(-c5ccc(-c6ccc(C(=O)CNc7cc8c(cc7C)nc7cc(C)c(N)cc7[n+]8-c7ccccc7)cc6)cc5)cc4)cc3[n+](-c3ccccc3)c2cc1N
InChIInChI=1S/C62H50N8O2/c1-37-27-53-57(31-49(37)63)69(47-11-7-5-8-12-47)59-33-51(39(3)29-55(59)67-53)65-35-61(71)45-23-19-43(20-24-45)41-15-17-42(18-16-41)44-21-25-46(26-22-44)62(72)36-66-52-34-60-56(30-40(52)4)68-54-28-38(2)50(64)32-58(54)70(60)48-13-9-6-10-14-48/h5-34H,35-36H2,1-4H3,(H4,63,64,65,66)/p+2
InChIKeyWZJOWUWILYALAY-UHFFFAOYSA-P
XLogP11.96
TPSA143.78 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500941.15
LogP ≤ 511.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]-1-[4-[4-[4-[2-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]acetyl]phenyl]phenyl]phenyl]ethanone with MolForge

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Related Compounds

XR 5944
CID 439035
9-methyl-N-[2-[methyl-[3-[methyl-[2-[(9-methylphenazine-1-carbonyl)amino]ethyl]amino]propyl]amino]ethyl]phenazine-1-carboxamide
CID 9873997
9-methyl-N-[3-[methyl-[3-[(9-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide
CID 10054059
N-[2-[2-[2-[(6,9-dimethylphenazine-1-carbonyl)amino]ethylamino]ethylamino]ethyl]-6,9-dimethylphenazine-1-carboxamide
CID 10371603
9-methyl-N-[2-[3-[2-[(9-methylphenazine-1-carbonyl)amino]ethylamino]propylamino]ethyl]phenazine-1-carboxamide
CID 10675094
9-(dimethylamino)-N-[3-[3-[[9-(dimethylamino)phenazine-1-carbonyl]amino]propyl-methylamino]propyl]phenazine-1-carboxamide
CID 10746743
9-methyl-N-[3-[4-[3-[(9-methylphenazine-1-carbonyl)amino]propyl]piperazin-1-yl]propyl]phenazine-1-carboxamide
CID 10841827
9-methyl-N-[4-[4-[4-[(9-methylphenazine-1-carbonyl)amino]butyl]piperazin-1-yl]butyl]phenazine-1-carboxamide
CID 10556377
8-methyl-N-[3-[methyl-[3-[(8-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide
CID 10531397
N-[3-[3-[(6,9-dimethylphenazine-1-carbonyl)amino]propyl-methylamino]propyl]-6,9-dimethylphenazine-1-carboxamide
CID 10531840
4-methyl-N-[3-[methyl-[3-[(4-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide
CID 10555326
9-methyl-N-[3-[2-[3-[(9-methylphenazine-1-carbonyl)amino]propylamino]ethylamino]propyl]phenazine-1-carboxamide
CID 10579668

Frequently Asked Questions

What is the IUPAC name of 2-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]-1-[4-[4-[4-[2-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]acetyl]phenyl]phenyl]phenyl]ethanone?
The IUPAC name of 2-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]-1-[4-[4-[4-[2-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]acetyl]phenyl]phenyl]phenyl]ethanone (CID 118287503) is 2-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]-1-[4-[4-[4-[2-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]acetyl]phenyl]phenyl]phenyl]ethanone.
What is the SMILES notation for 2-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]-1-[4-[4-[4-[2-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]acetyl]phenyl]phenyl]phenyl]ethanone?
The canonical SMILES for 2-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]-1-[4-[4-[4-[2-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]acetyl]phenyl]phenyl]phenyl]ethanone is Cc1cc2nc3cc(C)c(NCC(=O)c4ccc(-c5ccc(-c6ccc(C(=O)CNc7cc8c(cc7C)nc7cc(C)c(N)cc7[n+]8-c7ccccc7)cc6)cc5)cc4)cc3[n+](-c3ccccc3)c2cc1N.
What is the InChIKey of 2-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]-1-[4-[4-[4-[2-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]acetyl]phenyl]phenyl]phenyl]ethanone?
The InChIKey is WZJOWUWILYALAY-UHFFFAOYSA-P. The full InChI is InChI=1S/C62H50N8O2/c1-37-27-53-57(31-49(37)63)69(47-11-7-5-8-12-47)59-33-51(39(3)29-55(59)67-53)65-35-61(71)45-23-19-43(20-24-45)41-15-17-42(18-16-41)44-21-25-46(26-22-44)62(72)36-66-52-34-60-56(30-40(52)4)68-54-28-38(2)50(64)32-58(54)70(60)48-13-9-6-10-14-48/h5-34H,35-36H2,1-4H3,(H4,63,64,65,66)/p+2.
What are the key properties of 2-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]-1-[4-[4-[4-[2-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]acetyl]phenyl]phenyl]phenyl]ethanone?
2-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]-1-[4-[4-[4-[2-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]acetyl]phenyl]phenyl]phenyl]ethanone has a molecular weight of 941.15 g/mol, XLogP of 11.96, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]-1-[4-[4-[4-[2-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]acetyl]phenyl]phenyl]phenyl]ethanone is sourced from PubChem (CID 118287503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).