N-[6-[(8-amino-3,7-dimethyl-10-prop-1-ynylphenazin-10-ium-2-yl)amino]hexyl]-4-[4-[6-[(8-amino-3,7-dimethyl-10-prop-1-ynylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzamide

C60H66N10O2+2 — CID 145241032

About N-[6-[(8-amino-3,7-dimethyl-10-prop-1-ynylphenazin-10-ium-2-yl)amino]hexyl]-4-[4-[6-[(8-amino-3,7-dimethyl-10-prop-1-ynylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzamide

N-[6-[(8-amino-3,7-dimethyl-10-prop-1-ynylphenazin-10-ium-2-yl)amino]hexyl]-4-[4-[6-[(8-amino-3,7-dimethyl-10-prop-1-ynylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzamide (PubChem CID 145241032) has the molecular formula C60H66N10O2+2 and a molecular weight of 959.26 g/mol. Its IUPAC name is N-[6-[(8-amino-3,7-dimethyl-10-prop-1-ynylphenazin-10-ium-2-yl)amino]hexyl]-4-[4-[6-[(8-amino-3,7-dimethyl-10-prop-1-ynylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzamide.

Molecular Properties

• Compound Name: N-[6-[(8-amino-3,7-dimethyl-10-prop-1-ynylphenazin-10-ium-2-yl)amino]hexyl]-4-[4-[6-[(8-amino-3,7-dimethyl-10-prop-1-ynylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzamide
• PubChem CID: 145241032
• Molecular Formula: C60H66N10O2+2
• Molecular Weight: 959.26 g/mol
• Exact Mass: 958.54
• IUPAC Name: N-[6-[(8-amino-3,7-dimethyl-10-prop-1-ynylphenazin-10-ium-2-yl)amino]hexyl]-4-[4-[6-[(8-amino-3,7-dimethyl-10-prop-1-ynylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzamide
• SMILES: CC#C[n+]1c2cc(N)c(C)cc2nc2cc(C)c(NCCCCCCNC(=O)c3ccc(-c4ccc(C(=O)NCCCCCCNc5cc6c(cc5C)nc5cc(C)c(N)cc5[n+]6C#CC)cc4)cc3)cc21
• InChI: InChI=1S/C60H64N10O2/c1-7-29-69-55-35-47(61)39(3)31-51(55)67-53-33-41(5)49(37-57(53)69)63-25-13-9-11-15-27-65-59(71)45-21-17-43(18-22-45)44-19-23-46(24-20-44)60(72)66-28-16-12-10-14-26-64-50-38-58-54(34-42(50)6)68-52-32-40(4)48(62)36-56(52)70(58)30-8-2/h17-24,31-38H,9-16,25-28H2,1-6H3,(H6,61,62,63,64,65,66,71,72)/p+2
• InChIKey: ZNFMDOWFFFDPJM-UHFFFAOYSA-P
• XLogP: 10.19
• TPSA: 167.84 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 19
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	959.26
LogP ≤ 5	10.19
H-Bond Donors ≤ 5	6
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': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-[(8-amino-3,7-dimethyl-10-prop-1-ynylphenazin-10-ium-2-yl)amino]hexyl]-4-[4-[6-[(8-amino-3,7-dimethyl-10-prop-1-ynylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzamide?

The IUPAC name of N-[6-[(8-amino-3,7-dimethyl-10-prop-1-ynylphenazin-10-ium-2-yl)amino]hexyl]-4-[4-[6-[(8-amino-3,7-dimethyl-10-prop-1-ynylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzamide (CID 145241032) is N-[6-[(8-amino-3,7-dimethyl-10-prop-1-ynylphenazin-10-ium-2-yl)amino]hexyl]-4-[4-[6-[(8-amino-3,7-dimethyl-10-prop-1-ynylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzamide.

What is the SMILES notation for N-[6-[(8-amino-3,7-dimethyl-10-prop-1-ynylphenazin-10-ium-2-yl)amino]hexyl]-4-[4-[6-[(8-amino-3,7-dimethyl-10-prop-1-ynylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzamide?

The canonical SMILES for N-[6-[(8-amino-3,7-dimethyl-10-prop-1-ynylphenazin-10-ium-2-yl)amino]hexyl]-4-[4-[6-[(8-amino-3,7-dimethyl-10-prop-1-ynylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzamide is CC#C[n+]1c2cc(N)c(C)cc2nc2cc(C)c(NCCCCCCNC(=O)c3ccc(-c4ccc(C(=O)NCCCCCCNc5cc6c(cc5C)nc5cc(C)c(N)cc5[n+]6C#CC)cc4)cc3)cc21.

What is the InChIKey of N-[6-[(8-amino-3,7-dimethyl-10-prop-1-ynylphenazin-10-ium-2-yl)amino]hexyl]-4-[4-[6-[(8-amino-3,7-dimethyl-10-prop-1-ynylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzamide?

The InChIKey is ZNFMDOWFFFDPJM-UHFFFAOYSA-P. The full InChI is InChI=1S/C60H64N10O2/c1-7-29-69-55-35-47(61)39(3)31-51(55)67-53-33-41(5)49(37-57(53)69)63-25-13-9-11-15-27-65-59(71)45-21-17-43(18-22-45)44-19-23-46(24-20-44)60(72)66-28-16-12-10-14-26-64-50-38-58-54(34-42(50)6)68-52-32-40(4)48(62)36-56(52)70(58)30-8-2/h17-24,31-38H,9-16,25-28H2,1-6H3,(H6,61,62,63,64,65,66,71,72)/p+2.

What are the key properties of N-[6-[(8-amino-3,7-dimethyl-10-prop-1-ynylphenazin-10-ium-2-yl)amino]hexyl]-4-[4-[6-[(8-amino-3,7-dimethyl-10-prop-1-ynylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzamide?

N-[6-[(8-amino-3,7-dimethyl-10-prop-1-ynylphenazin-10-ium-2-yl)amino]hexyl]-4-[4-[6-[(8-amino-3,7-dimethyl-10-prop-1-ynylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzamide has a molecular weight of 959.26 g/mol, XLogP of 10.19, 19 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[(8-amino-3,7-dimethyl-10-prop-1-ynylphenazin-10-ium-2-yl)amino]hexyl]-4-[4-[6-[(8-amino-3,7-dimethyl-10-prop-1-ynylphenazin-10-ium-2-yl)amino]hexylcarbamoyl]phenyl]benzamide is sourced from PubChem (CID 145241032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).