9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-(9-triphenylen-2-ylcarbazol-3-yl)dibenzofuran-2-yl]carbazole

C78H47N3O — CID 147321695

About 9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-(9-triphenylen-2-ylcarbazol-3-yl)dibenzofuran-2-yl]carbazole

9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-(9-triphenylen-2-ylcarbazol-3-yl)dibenzofuran-2-yl]carbazole (PubChem CID 147321695) has the molecular formula C78H47N3O and a molecular weight of 1042.25 g/mol. Its IUPAC name is 9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-(9-triphenylen-2-ylcarbazol-3-yl)dibenzofuran-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-(9-triphenylen-2-ylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
• PubChem CID: 147321695
• Molecular Formula: C78H47N3O
• Molecular Weight: 1042.25 g/mol
• Exact Mass: 1041.37
• IUPAC Name: 9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-(9-triphenylen-2-ylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
• SMILES: c1ccc(-n2c3ccc(-c4ccc5oc6cccc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8c9ccccc9c9ccccc9c8c7)c6c5c4)cc3c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc32)cc1
• InChI: InChI=1S/C78H47N3O/c1-3-16-53(17-4-1)79-73-38-31-48(42-67(73)68-43-49(32-39-74(68)79)51-30-36-64-62-24-11-13-27-70(62)80(75(64)46-51)54-18-5-2-6-19-54)50-34-41-76-69(44-50)78-56(26-15-29-77(78)82-76)52-33-40-72-66(45-52)63-25-12-14-28-71(63)81(72)55-35-37-61-59-22-8-7-20-57(59)58-21-9-10-23-60(58)65(61)47-55/h1-47H
• InChIKey: CZXSVDNADYWBDZ-UHFFFAOYSA-N
• XLogP: 21.34
• TPSA: 27.93 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1042.25
LogP ≤ 5	21.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-(9-triphenylen-2-ylcarbazol-3-yl)dibenzofuran-2-yl]carbazole?

The IUPAC name of 9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-(9-triphenylen-2-ylcarbazol-3-yl)dibenzofuran-2-yl]carbazole (CID 147321695) is 9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-(9-triphenylen-2-ylcarbazol-3-yl)dibenzofuran-2-yl]carbazole.

What is the SMILES notation for 9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-(9-triphenylen-2-ylcarbazol-3-yl)dibenzofuran-2-yl]carbazole?

The canonical SMILES for 9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-(9-triphenylen-2-ylcarbazol-3-yl)dibenzofuran-2-yl]carbazole is c1ccc(-n2c3ccc(-c4ccc5oc6cccc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8c9ccccc9c9ccccc9c8c7)c6c5c4)cc3c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc32)cc1.

What is the InChIKey of 9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-(9-triphenylen-2-ylcarbazol-3-yl)dibenzofuran-2-yl]carbazole?

The InChIKey is CZXSVDNADYWBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H47N3O/c1-3-16-53(17-4-1)79-73-38-31-48(42-67(73)68-43-49(32-39-74(68)79)51-30-36-64-62-24-11-13-27-70(62)80(75(64)46-51)54-18-5-2-6-19-54)50-34-41-76-69(44-50)78-56(26-15-29-77(78)82-76)52-33-40-72-66(45-52)63-25-12-14-28-71(63)81(72)55-35-37-61-59-22-8-7-20-57(59)58-21-9-10-23-60(58)65(61)47-55/h1-47H.

What are the key properties of 9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-(9-triphenylen-2-ylcarbazol-3-yl)dibenzofuran-2-yl]carbazole?

9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-(9-triphenylen-2-ylcarbazol-3-yl)dibenzofuran-2-yl]carbazole has a molecular weight of 1042.25 g/mol, XLogP of 21.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-(9-triphenylen-2-ylcarbazol-3-yl)dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 147321695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).