N-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-1-yl]-1-methanimidoyl-9-phenylcarbazol-2-amine

C58H39N7 — CID 145340516

About N-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-1-yl]-1-methanimidoyl-9-phenylcarbazol-2-amine

N-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-1-yl]-1-methanimidoyl-9-phenylcarbazol-2-amine (PubChem CID 145340516) has the molecular formula C58H39N7 and a molecular weight of 834.00 g/mol. Its IUPAC name is N-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-1-yl]-1-methanimidoyl-9-phenylcarbazol-2-amine.

Molecular Properties

• Compound Name: N-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-1-yl]-1-methanimidoyl-9-phenylcarbazol-2-amine
• PubChem CID: 145340516
• Molecular Formula: C58H39N7
• Molecular Weight: 834.00 g/mol
• Exact Mass: 833.33
• IUPAC Name: N-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-1-yl]-1-methanimidoyl-9-phenylcarbazol-2-amine
• SMILES: [H]/N=C/c1c(Nc2cccc3c4ccccc4n(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)c23)ccc2c3ccccc3n(-c3ccccc3)c12
• InChI: InChI=1S/C58H39N7/c59-37-49-50(34-33-48-46-28-11-12-31-52(46)64(54(48)49)43-24-8-3-9-25-43)60-51-30-16-29-47-45-27-10-13-32-53(45)65(55(47)51)44-26-15-22-41(36-44)40-21-14-23-42(35-40)58-62-56(38-17-4-1-5-18-38)61-57(63-58)39-19-6-2-7-20-39/h1-37,59-60H/b59-37+
• InChIKey: SOILYIKESIZRGW-OGTBTPGWSA-N
• XLogP: 14.48
• TPSA: 84.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	834.00
LogP ≤ 5	14.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-1-yl]-1-methanimidoyl-9-phenylcarbazol-2-amine?

The IUPAC name of N-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-1-yl]-1-methanimidoyl-9-phenylcarbazol-2-amine (CID 145340516) is N-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-1-yl]-1-methanimidoyl-9-phenylcarbazol-2-amine.

What is the SMILES notation for N-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-1-yl]-1-methanimidoyl-9-phenylcarbazol-2-amine?

The canonical SMILES for N-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-1-yl]-1-methanimidoyl-9-phenylcarbazol-2-amine is [H]/N=C/c1c(Nc2cccc3c4ccccc4n(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)c23)ccc2c3ccccc3n(-c3ccccc3)c12.

What is the InChIKey of N-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-1-yl]-1-methanimidoyl-9-phenylcarbazol-2-amine?

The InChIKey is SOILYIKESIZRGW-OGTBTPGWSA-N. The full InChI is InChI=1S/C58H39N7/c59-37-49-50(34-33-48-46-28-11-12-31-52(46)64(54(48)49)43-24-8-3-9-25-43)60-51-30-16-29-47-45-27-10-13-32-53(45)65(55(47)51)44-26-15-22-41(36-44)40-21-14-23-42(35-40)58-62-56(38-17-4-1-5-18-38)61-57(63-58)39-19-6-2-7-20-39/h1-37,59-60H/b59-37+.

What are the key properties of N-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-1-yl]-1-methanimidoyl-9-phenylcarbazol-2-amine?

N-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-1-yl]-1-methanimidoyl-9-phenylcarbazol-2-amine has a molecular weight of 834.00 g/mol, XLogP of 14.48, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-1-yl]-1-methanimidoyl-9-phenylcarbazol-2-amine is sourced from PubChem (CID 145340516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).