2-[C-[(Z)-2-[2-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-8-methylquinolin-7-yl]ethenyl]-N-methylcarbonimidoyl]phenol

C59H41N7O — CID 137255045

About 2-[C-[(Z)-2-[2-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-8-methylquinolin-7-yl]ethenyl]-N-methylcarbonimidoyl]phenol

2-[C-[(Z)-2-[2-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-8-methylquinolin-7-yl]ethenyl]-N-methylcarbonimidoyl]phenol (PubChem CID 137255045) has the molecular formula C59H41N7O and a molecular weight of 864.02 g/mol. Its IUPAC name is 2-[C-[(Z)-2-[2-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-8-methylquinolin-7-yl]ethenyl]-N-methylcarbonimidoyl]phenol.

Molecular Properties

• Compound Name: 2-[C-[(Z)-2-[2-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-8-methylquinolin-7-yl]ethenyl]-N-methylcarbonimidoyl]phenol
• PubChem CID: 137255045
• Molecular Formula: C59H41N7O
• Molecular Weight: 864.02 g/mol
• Exact Mass: 863.34
• IUPAC Name: 2-[C-[(Z)-2-[2-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-8-methylquinolin-7-yl]ethenyl]-N-methylcarbonimidoyl]phenol
• SMILES: C/N=C(/C=C\c1ccc2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c4)n3)nc2c1C)c1ccccc1O
• InChI: InChI=1S/C59H41N7O/c1-37-38(29-32-49(60-2)47-22-9-13-26-55(47)67)27-28-39-30-33-50(61-56(37)39)59-63-57(40-15-4-3-5-16-40)62-58(64-59)41-17-14-18-42(35-41)65-53-25-12-8-21-46(53)48-36-43(31-34-54(48)65)66-51-23-10-6-19-44(51)45-20-7-11-24-52(45)66/h3-36,67H,1-2H3/b32-29-,60-49-
• InChIKey: WBNWEFRAQUQSOY-BQOAOMCISA-N
• XLogP: 13.76
• TPSA: 94.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	864.02
LogP ≤ 5	13.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[C-[(Z)-2-[2-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-8-methylquinolin-7-yl]ethenyl]-N-methylcarbonimidoyl]phenol?

The IUPAC name of 2-[C-[(Z)-2-[2-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-8-methylquinolin-7-yl]ethenyl]-N-methylcarbonimidoyl]phenol (CID 137255045) is 2-[C-[(Z)-2-[2-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-8-methylquinolin-7-yl]ethenyl]-N-methylcarbonimidoyl]phenol.

What is the SMILES notation for 2-[C-[(Z)-2-[2-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-8-methylquinolin-7-yl]ethenyl]-N-methylcarbonimidoyl]phenol?

The canonical SMILES for 2-[C-[(Z)-2-[2-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-8-methylquinolin-7-yl]ethenyl]-N-methylcarbonimidoyl]phenol is C/N=C(/C=C\c1ccc2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c4)n3)nc2c1C)c1ccccc1O.

What is the InChIKey of 2-[C-[(Z)-2-[2-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-8-methylquinolin-7-yl]ethenyl]-N-methylcarbonimidoyl]phenol?

The InChIKey is WBNWEFRAQUQSOY-BQOAOMCISA-N. The full InChI is InChI=1S/C59H41N7O/c1-37-38(29-32-49(60-2)47-22-9-13-26-55(47)67)27-28-39-30-33-50(61-56(37)39)59-63-57(40-15-4-3-5-16-40)62-58(64-59)41-17-14-18-42(35-41)65-53-25-12-8-21-46(53)48-36-43(31-34-54(48)65)66-51-23-10-6-19-44(51)45-20-7-11-24-52(45)66/h3-36,67H,1-2H3/b32-29-,60-49-.

What are the key properties of 2-[C-[(Z)-2-[2-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-8-methylquinolin-7-yl]ethenyl]-N-methylcarbonimidoyl]phenol?

2-[C-[(Z)-2-[2-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-8-methylquinolin-7-yl]ethenyl]-N-methylcarbonimidoyl]phenol has a molecular weight of 864.02 g/mol, XLogP of 13.76, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[C-[(Z)-2-[2-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-8-methylquinolin-7-yl]ethenyl]-N-methylcarbonimidoyl]phenol is sourced from PubChem (CID 137255045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).