9-benzo[c]carbazol-7-yl-5-[3-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole

C61H37N5 — CID 155477284

About 9-benzo[c]carbazol-7-yl-5-[3-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole

9-benzo[c]carbazol-7-yl-5-[3-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole (PubChem CID 155477284) has the molecular formula C61H37N5 and a molecular weight of 840.00 g/mol. Its IUPAC name is 9-benzo[c]carbazol-7-yl-5-[3-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 9-benzo[c]carbazol-7-yl-5-[3-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
• PubChem CID: 155477284
• Molecular Formula: C61H37N5
• Molecular Weight: 840.00 g/mol
• Exact Mass: 839.30
• IUPAC Name: 9-benzo[c]carbazol-7-yl-5-[3-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
• SMILES: c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5cc6cc(-n7c8ccccc8c8c9ccccc9ccc87)ccc6cc54)c3)nc(-c3ccc4c(ccc5ccccc54)c3)n2)cc1
• InChI: InChI=1S/C61H37N5/c1-2-15-40(16-3-1)59-62-60(64-61(63-59)44-28-31-49-42(33-44)26-25-38-13-4-6-19-48(38)49)43-17-12-18-46(34-43)66-54-23-10-8-21-51(54)53-36-45-35-47(30-27-41(45)37-57(53)66)65-55-24-11-9-22-52(55)58-50-20-7-5-14-39(50)29-32-56(58)65/h1-37H
• InChIKey: POSNGWIFDRXXTO-UHFFFAOYSA-N
• XLogP: 15.68
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	840.00
LogP ≤ 5	15.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-benzo[c]carbazol-7-yl-5-[3-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole?

The IUPAC name of 9-benzo[c]carbazol-7-yl-5-[3-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole (CID 155477284) is 9-benzo[c]carbazol-7-yl-5-[3-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole.

What is the SMILES notation for 9-benzo[c]carbazol-7-yl-5-[3-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole?

The canonical SMILES for 9-benzo[c]carbazol-7-yl-5-[3-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole is c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5cc6cc(-n7c8ccccc8c8c9ccccc9ccc87)ccc6cc54)c3)nc(-c3ccc4c(ccc5ccccc54)c3)n2)cc1.

What is the InChIKey of 9-benzo[c]carbazol-7-yl-5-[3-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole?

The InChIKey is POSNGWIFDRXXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37N5/c1-2-15-40(16-3-1)59-62-60(64-61(63-59)44-28-31-49-42(33-44)26-25-38-13-4-6-19-48(38)49)43-17-12-18-46(34-43)66-54-23-10-8-21-51(54)53-36-45-35-47(30-27-41(45)37-57(53)66)65-55-24-11-9-22-52(55)58-50-20-7-5-14-39(50)29-32-56(58)65/h1-37H.

What are the key properties of 9-benzo[c]carbazol-7-yl-5-[3-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole?

9-benzo[c]carbazol-7-yl-5-[3-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole has a molecular weight of 840.00 g/mol, XLogP of 15.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-benzo[c]carbazol-7-yl-5-[3-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole is sourced from PubChem (CID 155477284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).