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

C65H39N5 — CID 155477044

About 8-benzo[a]carbazol-11-yl-5-[1-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole

8-benzo[a]carbazol-11-yl-5-[1-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole (PubChem CID 155477044) has the molecular formula C65H39N5 and a molecular weight of 890.06 g/mol. Its IUPAC name is 8-benzo[a]carbazol-11-yl-5-[1-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 8-benzo[a]carbazol-11-yl-5-[1-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole
• PubChem CID: 155477044
• Molecular Formula: C65H39N5
• Molecular Weight: 890.06 g/mol
• Exact Mass: 889.32
• IUPAC Name: 8-benzo[a]carbazol-11-yl-5-[1-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole
• SMILES: c1ccc(-c2nc(-c3c(-n4c5ccccc5c5cc6ccc(-n7c8ccccc8c8ccc9ccccc9c87)cc6cc54)ccc4ccccc34)nc(-c3cc4ccccc4c4ccccc34)n2)cc1
• InChI: InChI=1S/C65H39N5/c1-2-18-42(19-3-1)63-66-64(56-38-44-20-6-7-21-47(44)50-24-10-11-25-51(50)56)68-65(67-63)61-48-22-8-4-16-40(48)32-35-59(61)70-58-29-15-13-27-53(58)55-37-43-30-33-46(36-45(43)39-60(55)70)69-57-28-14-12-26-52(57)54-34-31-41-17-5-9-23-49(41)62(54)69/h1-39H
• InChIKey: ALKUWEMJWIEYLD-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 8-benzo[a]carbazol-11-yl-5-[1-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole?

The IUPAC name of 8-benzo[a]carbazol-11-yl-5-[1-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole (CID 155477044) is 8-benzo[a]carbazol-11-yl-5-[1-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole.

What is the SMILES notation for 8-benzo[a]carbazol-11-yl-5-[1-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole?

The canonical SMILES for 8-benzo[a]carbazol-11-yl-5-[1-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole is c1ccc(-c2nc(-c3c(-n4c5ccccc5c5cc6ccc(-n7c8ccccc8c8ccc9ccccc9c87)cc6cc54)ccc4ccccc34)nc(-c3cc4ccccc4c4ccccc34)n2)cc1.

What is the InChIKey of 8-benzo[a]carbazol-11-yl-5-[1-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole?

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

What are the key properties of 8-benzo[a]carbazol-11-yl-5-[1-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole?

8-benzo[a]carbazol-11-yl-5-[1-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-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 8-benzo[a]carbazol-11-yl-5-[1-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole is sourced from PubChem (CID 155477044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).