9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine

C55H35N3O2 — CID 167130122

About 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine

9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine (PubChem CID 167130122) has the molecular formula C55H35N3O2 and a molecular weight of 769.90 g/mol. Its IUPAC name is 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine.

Molecular Properties

• Compound Name: 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine
• PubChem CID: 167130122
• Molecular Formula: C55H35N3O2
• Molecular Weight: 769.90 g/mol
• Exact Mass: 769.27
• IUPAC Name: 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine
• SMILES: c1ccc(-c2cccc(N(c3ccc(-c4ccc5c(c4)oc4cc6nc(-c7ccccc7)oc6cc45)cc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)cc1
• InChI: InChI=1S/C55H35N3O2/c1-4-13-36(14-5-1)39-17-12-20-43(31-39)57(44-28-30-46-45-21-10-11-22-50(45)58(51(46)33-44)41-18-8-3-9-19-41)42-26-23-37(24-27-42)40-25-29-47-48-34-54-49(35-53(48)59-52(47)32-40)56-55(60-54)38-15-6-2-7-16-38/h1-35H
• InChIKey: GOAQXXDGQXEBOF-UHFFFAOYSA-N
• XLogP: 15.30
• TPSA: 47.34 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	769.90
LogP ≤ 5	15.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine?

The IUPAC name of 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine (CID 167130122) is 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine.

What is the SMILES notation for 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine?

The canonical SMILES for 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine is c1ccc(-c2cccc(N(c3ccc(-c4ccc5c(c4)oc4cc6nc(-c7ccccc7)oc6cc45)cc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)cc1.

What is the InChIKey of 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine?

The InChIKey is GOAQXXDGQXEBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3O2/c1-4-13-36(14-5-1)39-17-12-20-43(31-39)57(44-28-30-46-45-21-10-11-22-50(45)58(51(46)33-44)41-18-8-3-9-19-41)42-26-23-37(24-27-42)40-25-29-47-48-34-54-49(35-53(48)59-52(47)32-40)56-55(60-54)38-15-6-2-7-16-38/h1-35H.

What are the key properties of 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine?

9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine has a molecular weight of 769.90 g/mol, XLogP of 15.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine is sourced from PubChem (CID 167130122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).