[5-amino-2-[[4-[6-[[4-[4-[6-[[8-amino-3-methyl-10-phenyl-7-(trifluoromethyl)phenazin-10-ium-2-yl]amino]hexylcarbamoyl]phenyl]benzoyl]amino]hexylamino]-3-methylcyclohexa-2,4-dien-1-ylidene]amino]-4-(trifluoromethyl)phenyl]-phenylazanium

C66H68F6N10O2+2 — CID 145240759

IUPAC[5-amino-2-[[4-[6-[[4-[4-[6-[[8-amino-3-methyl-10-phenyl-7-(trifluoromethyl)phenazin-10-ium-2-yl]amino]hexylcarbamoyl]phenyl]benzoyl]amino]hexylamino]-3-methylcyclohexa-2,4-dien-1-ylidene]amino]-4-(trifluoromethyl)phenyl]-phenylazanium
SMILESCC1=C/C(=N\c2cc(C(F)(F)F)c(N)cc2[NH2+]c2ccccc2)CC=C1NCCCCCCNC(=O)c1ccc(-c2ccc(C(=O)NCCCCCCNc3cc4c(cc3C)nc3cc(C(F)(F)F)c(N)cc3[n+]4-c3ccccc3)cc2)cc1
InChIInChI=1S/C66H66F6N10O2/c1-42-35-49(80-57-37-51(65(67,68)69)53(73)39-58(57)79-48-17-9-7-10-18-48)29-30-55(42)75-31-13-3-5-15-33-77-63(83)46-25-21-44(22-26-46)45-23-27-47(28-24-45)64(84)78-34-16-6-4-14-32-76-56-41-62-59(36-43(56)2)81-60-38-52(66(70,71)72)54(74)40-61(60)82(62)50-19-11-8-12-20-50/h7-12,17-28,30,35-41,75,79H,3-6,13-16,29,31-34,73H2,1-2H3,(H4,74,76,77,78,83,84)/p+2/b80-49-
InChIKeyAUEJESJZGYPGLY-BGWQQENLSA-P
MW1147.33 g/mol
LogP13.66
Rot. Bonds23

About [5-amino-2-[[4-[6-[[4-[4-[6-[[8-amino-3-methyl-10-phenyl-7-(trifluoromethyl)phenazin-10-ium-2-yl]amino]hexylcarbamoyl]phenyl]benzoyl]amino]hexylamino]-3-methylcyclohexa-2,4-dien-1-ylidene]amino]-4-(trifluoromethyl)phenyl]-phenylazanium

[5-amino-2-[[4-[6-[[4-[4-[6-[[8-amino-3-methyl-10-phenyl-7-(trifluoromethyl)phenazin-10-ium-2-yl]amino]hexylcarbamoyl]phenyl]benzoyl]amino]hexylamino]-3-methylcyclohexa-2,4-dien-1-ylidene]amino]-4-(trifluoromethyl)phenyl]-phenylazanium (PubChem CID 145240759) has the molecular formula C66H68F6N10O2+2 and a molecular weight of 1147.33 g/mol. Its IUPAC name is [5-amino-2-[[4-[6-[[4-[4-[6-[[8-amino-3-methyl-10-phenyl-7-(trifluoromethyl)phenazin-10-ium-2-yl]amino]hexylcarbamoyl]phenyl]benzoyl]amino]hexylamino]-3-methylcyclohexa-2,4-dien-1-ylidene]amino]-4-(trifluoromethyl)phenyl]-phenylazanium.

Molecular Properties

Compound Name[5-amino-2-[[4-[6-[[4-[4-[6-[[8-amino-3-methyl-10-phenyl-7-(trifluoromethyl)phenazin-10-ium-2-yl]amino]hexylcarbamoyl]phenyl]benzoyl]amino]hexylamino]-3-methylcyclohexa-2,4-dien-1-ylidene]amino]-4-(trifluoromethyl)phenyl]-phenylazanium
PubChem CID145240759
Molecular FormulaC66H68F6N10O2+2
Molecular Weight1147.33 g/mol
Exact Mass1146.54
IUPAC Name[5-amino-2-[[4-[6-[[4-[4-[6-[[8-amino-3-methyl-10-phenyl-7-(trifluoromethyl)phenazin-10-ium-2-yl]amino]hexylcarbamoyl]phenyl]benzoyl]amino]hexylamino]-3-methylcyclohexa-2,4-dien-1-ylidene]amino]-4-(trifluoromethyl)phenyl]-phenylazanium
SMILESCC1=C/C(=N\c2cc(C(F)(F)F)c(N)cc2[NH2+]c2ccccc2)CC=C1NCCCCCCNC(=O)c1ccc(-c2ccc(C(=O)NCCCCCCNc3cc4c(cc3C)nc3cc(C(F)(F)F)c(N)cc3[n+]4-c3ccccc3)cc2)cc1
InChIInChI=1S/C66H66F6N10O2/c1-42-35-49(80-57-37-51(65(67,68)69)53(73)39-58(57)79-48-17-9-7-10-18-48)29-30-55(42)75-31-13-3-5-15-33-77-63(83)46-25-21-44(22-26-46)45-23-27-47(28-24-45)64(84)78-34-16-6-4-14-32-76-56-41-62-59(36-43(56)2)81-60-38-52(66(70,71)72)54(74)40-61(60)82(62)50-19-11-8-12-20-50/h7-12,17-28,30,35-41,75,79H,3-6,13-16,29,31-34,73H2,1-2H3,(H4,74,76,77,78,83,84)/p+2/b80-49-
InChIKeyAUEJESJZGYPGLY-BGWQQENLSA-P
XLogP13.66
TPSA180.04 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001147.33
LogP ≤ 513.66
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze [5-amino-2-[[4-[6-[[4-[4-[6-[[8-amino-3-methyl-10-phenyl-7-(trifluoromethyl)phenazin-10-ium-2-yl]amino]hexylcarbamoyl]phenyl]benzoyl]amino]hexylamino]-3-methylcyclohexa-2,4-dien-1-ylidene]amino]-4-(trifluoromethyl)phenyl]-phenylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-amino-2-[[4-[6-[[4-[4-[6-[(8-amino-7-bromo-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzoyl]amino]hexylamino]-3-methylcyclohexa-2,4-dien-1-ylidene]amino]-4-bromophenyl]-phenylazanium
CID 145240798
[5-amino-2-[[4-[6-[[4-[4-[6-[(8-amino-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzoyl]amino]hexylamino]-3-methylcyclohexa-2,4-dien-1-ylidene]amino]phenyl]-phenylazanium
CID 145240951
[4,5-diamino-2-[[4-[8-[(7,8-diamino-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]octylamino]-3-methylcyclohexa-2,4-dien-1-ylidene]amino]phenyl]-phenylazanium
CID 145240828
N-[6-[[4-(4-amino-2-anilinophenyl)imino-6-methylcyclohexa-1,5-dien-1-yl]amino]hexyl]-4-[4-[6-[(8-amino-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzamide
CID 145240952
[5-amino-2-[(E)-[4-[6-[[4-[4-[6-[(6-amino-2,7-dimethyl-10-phenylacridin-10-ium-3-yl)amino]hexylcarbamoyl]phenyl]benzoyl]amino]hexylamino]-3-methylcyclohexa-2,4-dien-1-ylidene]methyl]-4-methylphenyl]-phenylazanium
CID 145240824
4-[4-[6-[[8-amino-3,7-dimethyl-10-(4-methylphenyl)phenazin-10-ium-2-yl]amino]hexylcarbamoyl]phenyl]-N-[6-[(6-methylcyclohexa-1,5-dien-1-yl)amino]hexyl]benzamide;[5-amino-4-methyl-2-(methylideneamino)phenyl]-(4-methylphenyl)azanium
CID 145241035
N-[6-[(7,8-diamino-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexyl]-4-[4-[6-[(7,8-diamino-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzamide
CID 145240967
7-N-[8-[[4-(4,5-diamino-2-anilinophenyl)imino-6-methylcyclohexa-1,5-dien-1-yl]amino]octyl]-8-methyl-5-phenylphenazin-5-ium-2,3,7-triamine
CID 145240829
N-[6-[(8-amino-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexyl]-4-[4-[6-[(8-amino-3-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzamide
CID 126543338
N-[6-[(8-amino-7-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexyl]-4-[4-[6-[(8-amino-7-methyl-10-phenylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzamide
CID 145240948
N-[6-[[2-(4-amino-2-anilino-5-methylphenyl)imino-6-methyl-3H-pyridin-5-yl]amino]hexyl]-4-[4-[6-[(7-amino-2,8-dimethyl-5-phenylpyrido[3,2-b]quinoxalin-5-ium-3-yl)amino]hexylcarbamoyl]phenyl]benzamide
CID 145240659
N-[7-[4-(4-amino-2-anilino-5-methylphenyl)imino-6-methylcyclohexa-1,5-dien-1-yl]-7-oxoheptyl]-4-[4-[[7-(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)-7-oxoheptyl]carbamoyl]phenyl]benzamide
CID 145240693

Frequently Asked Questions

What is the IUPAC name of [5-amino-2-[[4-[6-[[4-[4-[6-[[8-amino-3-methyl-10-phenyl-7-(trifluoromethyl)phenazin-10-ium-2-yl]amino]hexylcarbamoyl]phenyl]benzoyl]amino]hexylamino]-3-methylcyclohexa-2,4-dien-1-ylidene]amino]-4-(trifluoromethyl)phenyl]-phenylazanium?
The IUPAC name of [5-amino-2-[[4-[6-[[4-[4-[6-[[8-amino-3-methyl-10-phenyl-7-(trifluoromethyl)phenazin-10-ium-2-yl]amino]hexylcarbamoyl]phenyl]benzoyl]amino]hexylamino]-3-methylcyclohexa-2,4-dien-1-ylidene]amino]-4-(trifluoromethyl)phenyl]-phenylazanium (CID 145240759) is [5-amino-2-[[4-[6-[[4-[4-[6-[[8-amino-3-methyl-10-phenyl-7-(trifluoromethyl)phenazin-10-ium-2-yl]amino]hexylcarbamoyl]phenyl]benzoyl]amino]hexylamino]-3-methylcyclohexa-2,4-dien-1-ylidene]amino]-4-(trifluoromethyl)phenyl]-phenylazanium.
What is the SMILES notation for [5-amino-2-[[4-[6-[[4-[4-[6-[[8-amino-3-methyl-10-phenyl-7-(trifluoromethyl)phenazin-10-ium-2-yl]amino]hexylcarbamoyl]phenyl]benzoyl]amino]hexylamino]-3-methylcyclohexa-2,4-dien-1-ylidene]amino]-4-(trifluoromethyl)phenyl]-phenylazanium?
The canonical SMILES for [5-amino-2-[[4-[6-[[4-[4-[6-[[8-amino-3-methyl-10-phenyl-7-(trifluoromethyl)phenazin-10-ium-2-yl]amino]hexylcarbamoyl]phenyl]benzoyl]amino]hexylamino]-3-methylcyclohexa-2,4-dien-1-ylidene]amino]-4-(trifluoromethyl)phenyl]-phenylazanium is CC1=C/C(=N\c2cc(C(F)(F)F)c(N)cc2[NH2+]c2ccccc2)CC=C1NCCCCCCNC(=O)c1ccc(-c2ccc(C(=O)NCCCCCCNc3cc4c(cc3C)nc3cc(C(F)(F)F)c(N)cc3[n+]4-c3ccccc3)cc2)cc1.
What is the InChIKey of [5-amino-2-[[4-[6-[[4-[4-[6-[[8-amino-3-methyl-10-phenyl-7-(trifluoromethyl)phenazin-10-ium-2-yl]amino]hexylcarbamoyl]phenyl]benzoyl]amino]hexylamino]-3-methylcyclohexa-2,4-dien-1-ylidene]amino]-4-(trifluoromethyl)phenyl]-phenylazanium?
The InChIKey is AUEJESJZGYPGLY-BGWQQENLSA-P. The full InChI is InChI=1S/C66H66F6N10O2/c1-42-35-49(80-57-37-51(65(67,68)69)53(73)39-58(57)79-48-17-9-7-10-18-48)29-30-55(42)75-31-13-3-5-15-33-77-63(83)46-25-21-44(22-26-46)45-23-27-47(28-24-45)64(84)78-34-16-6-4-14-32-76-56-41-62-59(36-43(56)2)81-60-38-52(66(70,71)72)54(74)40-61(60)82(62)50-19-11-8-12-20-50/h7-12,17-28,30,35-41,75,79H,3-6,13-16,29,31-34,73H2,1-2H3,(H4,74,76,77,78,83,84)/p+2/b80-49-.
What are the key properties of [5-amino-2-[[4-[6-[[4-[4-[6-[[8-amino-3-methyl-10-phenyl-7-(trifluoromethyl)phenazin-10-ium-2-yl]amino]hexylcarbamoyl]phenyl]benzoyl]amino]hexylamino]-3-methylcyclohexa-2,4-dien-1-ylidene]amino]-4-(trifluoromethyl)phenyl]-phenylazanium?
[5-amino-2-[[4-[6-[[4-[4-[6-[[8-amino-3-methyl-10-phenyl-7-(trifluoromethyl)phenazin-10-ium-2-yl]amino]hexylcarbamoyl]phenyl]benzoyl]amino]hexylamino]-3-methylcyclohexa-2,4-dien-1-ylidene]amino]-4-(trifluoromethyl)phenyl]-phenylazanium has a molecular weight of 1147.33 g/mol, XLogP of 13.66, 23 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-2-[[4-[6-[[4-[4-[6-[[8-amino-3-methyl-10-phenyl-7-(trifluoromethyl)phenazin-10-ium-2-yl]amino]hexylcarbamoyl]phenyl]benzoyl]amino]hexylamino]-3-methylcyclohexa-2,4-dien-1-ylidene]amino]-4-(trifluoromethyl)phenyl]-phenylazanium is sourced from PubChem (CID 145240759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).