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

C65H39N5 — CID 155477237

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

9-benzo[c]carbazol-7-yl-5-[4-(4-phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole (PubChem CID 155477237) has the molecular formula C65H39N5 and a molecular weight of 890.06 g/mol. Its IUPAC name is 9-benzo[c]carbazol-7-yl-5-[4-(4-phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 9-benzo[c]carbazol-7-yl-5-[4-(4-phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
• PubChem CID: 155477237
• Molecular Formula: C65H39N5
• Molecular Weight: 890.06 g/mol
• Exact Mass: 889.32
• IUPAC Name: 9-benzo[c]carbazol-7-yl-5-[4-(4-phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
• SMILES: c1ccc(-c2nc(-c3ccc4ccc5ccccc5c4c3)nc(-c3ccc(-n4c5ccccc5c5cc6cc(-n7c8ccccc8c8c9ccccc9ccc87)ccc6cc54)c4ccccc34)n2)cc1
• InChI: InChI=1S/C65H39N5/c1-2-16-43(17-3-1)63-66-64(45-29-28-42-27-26-40-14-4-6-18-48(40)55(42)37-45)68-65(67-63)53-33-35-59(51-21-9-8-20-50(51)53)70-57-24-12-10-22-52(57)56-38-46-36-47(32-30-44(46)39-61(56)70)69-58-25-13-11-23-54(58)62-49-19-7-5-15-41(49)31-34-60(62)69/h1-39H
• InChIKey: YPZPLXRIAULJIK-UHFFFAOYSA-N
• XLogP: 16.83
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	890.06
LogP ≤ 5	16.83
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-[4-(4-phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole?

The IUPAC name of 9-benzo[c]carbazol-7-yl-5-[4-(4-phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole (CID 155477237) is 9-benzo[c]carbazol-7-yl-5-[4-(4-phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole.

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

The canonical SMILES for 9-benzo[c]carbazol-7-yl-5-[4-(4-phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole is c1ccc(-c2nc(-c3ccc4ccc5ccccc5c4c3)nc(-c3ccc(-n4c5ccccc5c5cc6cc(-n7c8ccccc8c8c9ccccc9ccc87)ccc6cc54)c4ccccc34)n2)cc1.

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

The InChIKey is YPZPLXRIAULJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H39N5/c1-2-16-43(17-3-1)63-66-64(45-29-28-42-27-26-40-14-4-6-18-48(40)55(42)37-45)68-65(67-63)53-33-35-59(51-21-9-8-20-50(51)53)70-57-24-12-10-22-52(57)56-38-46-36-47(32-30-44(46)39-61(56)70)69-58-25-13-11-23-54(58)62-49-19-7-5-15-41(49)31-34-60(62)69/h1-39H.

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

9-benzo[c]carbazol-7-yl-5-[4-(4-phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole has a molecular weight of 890.06 g/mol, XLogP of 16.83, 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-[4-(4-phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole is sourced from PubChem (CID 155477237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).