9-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,6-diphenylcarbazole

C63H38N4O — CID 147477349

About 9-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,6-diphenylcarbazole

9-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,6-diphenylcarbazole (PubChem CID 147477349) has the molecular formula C63H38N4O and a molecular weight of 867.02 g/mol. Its IUPAC name is 9-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,6-diphenylcarbazole.

Molecular Properties

• Compound Name: 9-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,6-diphenylcarbazole
• PubChem CID: 147477349
• Molecular Formula: C63H38N4O
• Molecular Weight: 867.02 g/mol
• Exact Mass: 866.30
• IUPAC Name: 9-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,6-diphenylcarbazole
• SMILES: c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c4ccccc4c4c(-c5nc(-c6ccccc6)nc(-c6cccc7c6oc6ccccc67)n5)cccc4c3c2)cc1
• InChI: InChI=1S/C63H38N4O/c1-4-16-39(17-5-1)42-30-34-56-54(36-42)55-37-43(40-18-6-2-7-19-40)31-35-57(55)67(56)44-32-33-46-45-22-10-11-24-48(45)59-49(53(46)38-44)25-14-27-51(59)62-64-61(41-20-8-3-9-21-41)65-63(66-62)52-28-15-26-50-47-23-12-13-29-58(47)68-60(50)52/h1-38H
• InChIKey: FCYATXNIRFMWIU-UHFFFAOYSA-N
• XLogP: 16.66
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	867.02
LogP ≤ 5	16.66
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-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,6-diphenylcarbazole?

The IUPAC name of 9-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,6-diphenylcarbazole (CID 147477349) is 9-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,6-diphenylcarbazole.

What is the SMILES notation for 9-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,6-diphenylcarbazole?

The canonical SMILES for 9-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,6-diphenylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c4ccccc4c4c(-c5nc(-c6ccccc6)nc(-c6cccc7c6oc6ccccc67)n5)cccc4c3c2)cc1.

What is the InChIKey of 9-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,6-diphenylcarbazole?

The InChIKey is FCYATXNIRFMWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38N4O/c1-4-16-39(17-5-1)42-30-34-56-54(36-42)55-37-43(40-18-6-2-7-19-40)31-35-57(55)67(56)44-32-33-46-45-22-10-11-24-48(45)59-49(53(46)38-44)25-14-27-51(59)62-64-61(41-20-8-3-9-21-41)65-63(66-62)52-28-15-26-50-47-23-12-13-29-58(47)68-60(50)52/h1-38H.

What are the key properties of 9-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,6-diphenylcarbazole?

9-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,6-diphenylcarbazole has a molecular weight of 867.02 g/mol, XLogP of 16.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,6-diphenylcarbazole is sourced from PubChem (CID 147477349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).