11-benzo[a]carbazol-11-yl-5-[4-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole

C65H39N5 — CID 155477166

About 11-benzo[a]carbazol-11-yl-5-[4-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole

11-benzo[a]carbazol-11-yl-5-[4-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole (PubChem CID 155477166) has the molecular formula C65H39N5 and a molecular weight of 890.06 g/mol. Its IUPAC name is 11-benzo[a]carbazol-11-yl-5-[4-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 11-benzo[a]carbazol-11-yl-5-[4-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
• PubChem CID: 155477166
• Molecular Formula: C65H39N5
• Molecular Weight: 890.06 g/mol
• Exact Mass: 889.32
• IUPAC Name: 11-benzo[a]carbazol-11-yl-5-[4-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
• SMILES: c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5c(-n6c7ccccc7c7ccc8ccccc8c76)c6ccccc6cc54)c4ccccc34)nc(-c3cc4ccccc4c4ccccc34)n2)cc1
• InChI: InChI=1S/C65H39N5/c1-2-19-41(20-3-1)63-66-64(68-65(67-63)55-38-42-21-5-7-23-44(42)47-26-10-11-27-48(47)55)53-36-37-58(50-29-13-12-28-49(50)53)69-57-33-17-15-31-54(57)60-59(69)39-43-22-6-9-25-46(43)62(60)70-56-32-16-14-30-51(56)52-35-34-40-18-4-8-24-45(40)61(52)70/h1-39H
• InChIKey: KAEFLILEPFWPMX-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 11-benzo[a]carbazol-11-yl-5-[4-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole?

The IUPAC name of 11-benzo[a]carbazol-11-yl-5-[4-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole (CID 155477166) is 11-benzo[a]carbazol-11-yl-5-[4-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole.

What is the SMILES notation for 11-benzo[a]carbazol-11-yl-5-[4-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole?

The canonical SMILES for 11-benzo[a]carbazol-11-yl-5-[4-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole is c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5c(-n6c7ccccc7c7ccc8ccccc8c76)c6ccccc6cc54)c4ccccc34)nc(-c3cc4ccccc4c4ccccc34)n2)cc1.

What is the InChIKey of 11-benzo[a]carbazol-11-yl-5-[4-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole?

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

What are the key properties of 11-benzo[a]carbazol-11-yl-5-[4-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole?

11-benzo[a]carbazol-11-yl-5-[4-(4-phenanthren-9-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 11-benzo[a]carbazol-11-yl-5-[4-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole is sourced from PubChem (CID 155477166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).