1-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline

C55H35N3 — CID 138643718

About 1-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline

1-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline (PubChem CID 138643718) has the molecular formula C55H35N3 and a molecular weight of 737.91 g/mol. Its IUPAC name is 1-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline.

Molecular Properties

• Compound Name: 1-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline
• PubChem CID: 138643718
• Molecular Formula: C55H35N3
• Molecular Weight: 737.91 g/mol
• Exact Mass: 737.28
• IUPAC Name: 1-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline
• SMILES: c1ccc(-c2cc(-c3cccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)c3)c3c(ccc4ccccc43)n2)cc1
• InChI: InChI=1S/C55H35N3/c1-2-16-37(17-3-1)50-35-48(55-43-20-5-4-15-36(43)29-30-49(55)56-50)39-19-14-18-38(31-39)40-32-41(57-51-25-10-6-21-44(51)45-22-7-11-26-52(45)57)34-42(33-40)58-53-27-12-8-23-46(53)47-24-9-13-28-54(47)58/h1-35H
• InChIKey: AEMJBTYTUKMUEU-UHFFFAOYSA-N
• XLogP: 14.58
• TPSA: 22.75 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	737.91
LogP ≤ 5	14.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline?

The IUPAC name of 1-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline (CID 138643718) is 1-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline.

What is the SMILES notation for 1-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline?

The canonical SMILES for 1-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline is c1ccc(-c2cc(-c3cccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)c3)c3c(ccc4ccccc43)n2)cc1.

What is the InChIKey of 1-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline?

The InChIKey is AEMJBTYTUKMUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3/c1-2-16-37(17-3-1)50-35-48(55-43-20-5-4-15-36(43)29-30-49(55)56-50)39-19-14-18-38(31-39)40-32-41(57-51-25-10-6-21-44(51)45-22-7-11-26-52(45)57)34-42(33-40)58-53-27-12-8-23-46(53)47-24-9-13-28-54(47)58/h1-35H.

What are the key properties of 1-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline?

1-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline has a molecular weight of 737.91 g/mol, XLogP of 14.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline is sourced from PubChem (CID 138643718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).