[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

C64H70N10O2+2 — CID 145240951

About [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

[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 (PubChem CID 145240951) has the molecular formula C64H70N10O2+2 and a molecular weight of 1011.33 g/mol. Its IUPAC name is [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.

Molecular Properties

• Compound Name: [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
• PubChem CID: 145240951
• Molecular Formula: C64H70N10O2+2
• Molecular Weight: 1011.33 g/mol
• Exact Mass: 1010.57
• IUPAC Name: [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
• SMILES: CC1=C/C(=N\c2ccc(N)cc2[NH2+]c2ccccc2)CC=C1NCCCCCCNC(=O)c1ccc(-c2ccc(C(=O)NCCCCCCNc3cc4c(cc3C)nc3ccc(N)cc3[n+]4-c3ccccc3)cc2)cc1
• InChI: InChI=1S/C64H68N10O2/c1-44-39-53(72-56-32-29-50(65)41-59(56)71-52-17-9-7-10-18-52)31-34-55(44)67-35-13-3-5-15-37-69-63(75)48-25-21-46(22-26-48)47-23-27-49(28-24-47)64(76)70-38-16-6-4-14-36-68-58-43-62-60(40-45(58)2)73-57-33-30-51(66)42-61(57)74(62)54-19-11-8-12-20-54/h7-12,17-30,32-34,39-43,67,71H,3-6,13-16,31,35-38,65H2,1-2H3,(H4,66,68,69,70,75,76)/p+2/b72-53-
• InChIKey: HQENCEUBAFXUOA-VQUCIDHNSA-P
• XLogP: 11.62
• TPSA: 180.04 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 8
• Rotatable Bonds: 23
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1011.33
LogP ≤ 5	11.62
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	8

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'}

Frequently Asked Questions

What is the IUPAC name of [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?

The IUPAC name of [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) is [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.

What is the SMILES notation for [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?

The canonical SMILES for [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 is CC1=C/C(=N\c2ccc(N)cc2[NH2+]c2ccccc2)CC=C1NCCCCCCNC(=O)c1ccc(-c2ccc(C(=O)NCCCCCCNc3cc4c(cc3C)nc3ccc(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-phenylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzoyl]amino]hexylamino]-3-methylcyclohexa-2,4-dien-1-ylidene]amino]phenyl]-phenylazanium?

The InChIKey is HQENCEUBAFXUOA-VQUCIDHNSA-P. The full InChI is InChI=1S/C64H68N10O2/c1-44-39-53(72-56-32-29-50(65)41-59(56)71-52-17-9-7-10-18-52)31-34-55(44)67-35-13-3-5-15-37-69-63(75)48-25-21-46(22-26-48)47-23-27-49(28-24-47)64(76)70-38-16-6-4-14-36-68-58-43-62-60(40-45(58)2)73-57-33-30-51(66)42-61(57)74(62)54-19-11-8-12-20-54/h7-12,17-30,32-34,39-43,67,71H,3-6,13-16,31,35-38,65H2,1-2H3,(H4,66,68,69,70,75,76)/p+2/b72-53-.

What are the key properties of [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?

[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 has a molecular weight of 1011.33 g/mol, XLogP of 11.62, 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-phenylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzoyl]amino]hexylamino]-3-methylcyclohexa-2,4-dien-1-ylidene]amino]phenyl]-phenylazanium is sourced from PubChem (CID 145240951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).