6-[5-[8-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]octanoyl]-2-pyridinyl]-N-[7-(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)heptyl]pyridine-3-carboxamide

C66H70N10O2+2 — CID 160776568

About 6-[5-[8-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]octanoyl]-2-pyridinyl]-N-[7-(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)heptyl]pyridine-3-carboxamide

6-[5-[8-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]octanoyl]-2-pyridinyl]-N-[7-(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)heptyl]pyridine-3-carboxamide (PubChem CID 160776568) has the molecular formula C66H70N10O2+2 and a molecular weight of 1035.35 g/mol. Its IUPAC name is 6-[5-[8-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]octanoyl]-2-pyridinyl]-N-[7-(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)heptyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[5-[8-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]octanoyl]-2-pyridinyl]-N-[7-(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)heptyl]pyridine-3-carboxamide
• PubChem CID: 160776568
• Molecular Formula: C66H70N10O2+2
• Molecular Weight: 1035.35 g/mol
• Exact Mass: 1034.57
• IUPAC Name: 6-[5-[8-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]octanoyl]-2-pyridinyl]-N-[7-(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)heptyl]pyridine-3-carboxamide
• SMILES: Cc1cc2nc3cc(C)c(CCCCCCCNC(=O)c4ccc(-c5ccc(C(=O)CCCCCCCNc6cc7c(cc6C)nc6cc(C)c(N)cc6[n+]7-c6ccccc6)cn5)nc4)cc3[n+](-c3ccccc3)c2cc1N
• InChI: InChI=1S/C66H68N10O2/c1-43-33-57-61(75(50-22-14-11-15-23-50)62-38-52(67)44(2)34-58(62)73-57)37-47(43)21-13-7-5-10-20-32-70-66(78)49-28-30-55(72-42-49)54-29-27-48(41-71-54)65(77)26-18-8-6-9-19-31-69-56-40-64-60(36-46(56)4)74-59-35-45(3)53(68)39-63(59)76(64)51-24-16-12-17-25-51/h11-12,14-17,22-25,27-30,33-42,67H,5-10,13,18-21,26,31-32H2,1-4H3,(H3,68,69,70,78)/p+2
• InChIKey: YVCJMDQQDOOECN-UHFFFAOYSA-P
• XLogP: 13.06
• TPSA: 169.56 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 22
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1035.35
LogP ≤ 5	13.06
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

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'}

Frequently Asked Questions

What is the IUPAC name of 6-[5-[8-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]octanoyl]-2-pyridinyl]-N-[7-(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)heptyl]pyridine-3-carboxamide?

The IUPAC name of 6-[5-[8-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]octanoyl]-2-pyridinyl]-N-[7-(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)heptyl]pyridine-3-carboxamide (CID 160776568) is 6-[5-[8-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]octanoyl]-2-pyridinyl]-N-[7-(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)heptyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-[5-[8-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]octanoyl]-2-pyridinyl]-N-[7-(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)heptyl]pyridine-3-carboxamide?

The canonical SMILES for 6-[5-[8-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]octanoyl]-2-pyridinyl]-N-[7-(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)heptyl]pyridine-3-carboxamide is Cc1cc2nc3cc(C)c(CCCCCCCNC(=O)c4ccc(-c5ccc(C(=O)CCCCCCCNc6cc7c(cc6C)nc6cc(C)c(N)cc6[n+]7-c6ccccc6)cn5)nc4)cc3[n+](-c3ccccc3)c2cc1N.

What is the InChIKey of 6-[5-[8-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]octanoyl]-2-pyridinyl]-N-[7-(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)heptyl]pyridine-3-carboxamide?

The InChIKey is YVCJMDQQDOOECN-UHFFFAOYSA-P. The full InChI is InChI=1S/C66H68N10O2/c1-43-33-57-61(75(50-22-14-11-15-23-50)62-38-52(67)44(2)34-58(62)73-57)37-47(43)21-13-7-5-10-20-32-70-66(78)49-28-30-55(72-42-49)54-29-27-48(41-71-54)65(77)26-18-8-6-9-19-31-69-56-40-64-60(36-46(56)4)74-59-35-45(3)53(68)39-63(59)76(64)51-24-16-12-17-25-51/h11-12,14-17,22-25,27-30,33-42,67H,5-10,13,18-21,26,31-32H2,1-4H3,(H3,68,69,70,78)/p+2.

What are the key properties of 6-[5-[8-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]octanoyl]-2-pyridinyl]-N-[7-(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)heptyl]pyridine-3-carboxamide?

6-[5-[8-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]octanoyl]-2-pyridinyl]-N-[7-(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)heptyl]pyridine-3-carboxamide has a molecular weight of 1035.35 g/mol, XLogP of 13.06, 22 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-[8-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)amino]octanoyl]-2-pyridinyl]-N-[7-(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)heptyl]pyridine-3-carboxamide is sourced from PubChem (CID 160776568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).