5-[4-phenyl-6-[7-(9-phenylcarbazol-3-yl)triphenylen-2-yl]-1,3,5-triazin-2-yl]pyrido[3,2-b]indole

C56H34N6 — CID 131996675

About 5-[4-phenyl-6-[7-(9-phenylcarbazol-3-yl)triphenylen-2-yl]-1,3,5-triazin-2-yl]pyrido[3,2-b]indole

5-[4-phenyl-6-[7-(9-phenylcarbazol-3-yl)triphenylen-2-yl]-1,3,5-triazin-2-yl]pyrido[3,2-b]indole (PubChem CID 131996675) has the molecular formula C56H34N6 and a molecular weight of 790.93 g/mol. Its IUPAC name is 5-[4-phenyl-6-[7-(9-phenylcarbazol-3-yl)triphenylen-2-yl]-1,3,5-triazin-2-yl]pyrido[3,2-b]indole.

Molecular Properties

• Compound Name: 5-[4-phenyl-6-[7-(9-phenylcarbazol-3-yl)triphenylen-2-yl]-1,3,5-triazin-2-yl]pyrido[3,2-b]indole
• PubChem CID: 131996675
• Molecular Formula: C56H34N6
• Molecular Weight: 790.93 g/mol
• Exact Mass: 790.28
• IUPAC Name: 5-[4-phenyl-6-[7-(9-phenylcarbazol-3-yl)triphenylen-2-yl]-1,3,5-triazin-2-yl]pyrido[3,2-b]indole
• SMILES: c1ccc(-c2nc(-c3ccc4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5ccccc5c4c3)nc(-n3c4ccccc4c4ncccc43)n2)cc1
• InChI: InChI=1S/C56H34N6/c1-3-14-35(15-4-1)54-58-55(60-56(59-54)62-50-23-12-10-21-45(50)53-52(62)24-13-31-57-53)38-26-29-43-42-28-25-36(32-46(42)40-18-7-8-19-41(40)47(43)34-38)37-27-30-51-48(33-37)44-20-9-11-22-49(44)61(51)39-16-5-2-6-17-39/h1-34H
• InChIKey: OZNUEZGUCKOUFD-UHFFFAOYSA-N
• XLogP: 13.92
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	790.93
LogP ≤ 5	13.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-phenyl-6-[7-(9-phenylcarbazol-3-yl)triphenylen-2-yl]-1,3,5-triazin-2-yl]pyrido[3,2-b]indole?

The IUPAC name of 5-[4-phenyl-6-[7-(9-phenylcarbazol-3-yl)triphenylen-2-yl]-1,3,5-triazin-2-yl]pyrido[3,2-b]indole (CID 131996675) is 5-[4-phenyl-6-[7-(9-phenylcarbazol-3-yl)triphenylen-2-yl]-1,3,5-triazin-2-yl]pyrido[3,2-b]indole.

What is the SMILES notation for 5-[4-phenyl-6-[7-(9-phenylcarbazol-3-yl)triphenylen-2-yl]-1,3,5-triazin-2-yl]pyrido[3,2-b]indole?

The canonical SMILES for 5-[4-phenyl-6-[7-(9-phenylcarbazol-3-yl)triphenylen-2-yl]-1,3,5-triazin-2-yl]pyrido[3,2-b]indole is c1ccc(-c2nc(-c3ccc4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5ccccc5c4c3)nc(-n3c4ccccc4c4ncccc43)n2)cc1.

What is the InChIKey of 5-[4-phenyl-6-[7-(9-phenylcarbazol-3-yl)triphenylen-2-yl]-1,3,5-triazin-2-yl]pyrido[3,2-b]indole?

The InChIKey is OZNUEZGUCKOUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N6/c1-3-14-35(15-4-1)54-58-55(60-56(59-54)62-50-23-12-10-21-45(50)53-52(62)24-13-31-57-53)38-26-29-43-42-28-25-36(32-46(42)40-18-7-8-19-41(40)47(43)34-38)37-27-30-51-48(33-37)44-20-9-11-22-49(44)61(51)39-16-5-2-6-17-39/h1-34H.

What are the key properties of 5-[4-phenyl-6-[7-(9-phenylcarbazol-3-yl)triphenylen-2-yl]-1,3,5-triazin-2-yl]pyrido[3,2-b]indole?

5-[4-phenyl-6-[7-(9-phenylcarbazol-3-yl)triphenylen-2-yl]-1,3,5-triazin-2-yl]pyrido[3,2-b]indole has a molecular weight of 790.93 g/mol, XLogP of 13.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-phenyl-6-[7-(9-phenylcarbazol-3-yl)triphenylen-2-yl]-1,3,5-triazin-2-yl]pyrido[3,2-b]indole is sourced from PubChem (CID 131996675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).