N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-(6-phenyldibenzofuran-4-yl)-N-(3-phenylphenyl)aniline

C60H40N2O — CID 139544676

About N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-(6-phenyldibenzofuran-4-yl)-N-(3-phenylphenyl)aniline

N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-(6-phenyldibenzofuran-4-yl)-N-(3-phenylphenyl)aniline (PubChem CID 139544676) has the molecular formula C60H40N2O and a molecular weight of 804.99 g/mol. Its IUPAC name is N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-(6-phenyldibenzofuran-4-yl)-N-(3-phenylphenyl)aniline.

Molecular Properties

• Compound Name: N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-(6-phenyldibenzofuran-4-yl)-N-(3-phenylphenyl)aniline
• PubChem CID: 139544676
• Molecular Formula: C60H40N2O
• Molecular Weight: 804.99 g/mol
• Exact Mass: 804.31
• IUPAC Name: N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-(6-phenyldibenzofuran-4-yl)-N-(3-phenylphenyl)aniline
• SMILES: c1ccc(-c2cccc(N(c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)c3ccccc3-c3cccc4c3oc3c(-c5ccccc5)cccc34)c2)cc1
• InChI: InChI=1S/C60H40N2O/c1-3-18-41(19-4-1)44-22-15-23-46(40-44)61(45-38-36-43(37-39-45)47-24-7-11-32-55(47)62-57-34-13-8-25-49(57)50-26-9-14-35-58(50)62)56-33-12-10-27-51(56)52-29-17-31-54-53-30-16-28-48(59(53)63-60(52)54)42-20-5-2-6-21-42/h1-40H
• InChIKey: OFAHLTZGONHDSW-UHFFFAOYSA-N
• XLogP: 16.82
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	804.99
LogP ≤ 5	16.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-(6-phenyldibenzofuran-4-yl)-N-(3-phenylphenyl)aniline?

The IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-(6-phenyldibenzofuran-4-yl)-N-(3-phenylphenyl)aniline (CID 139544676) is N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-(6-phenyldibenzofuran-4-yl)-N-(3-phenylphenyl)aniline.

What is the SMILES notation for N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-(6-phenyldibenzofuran-4-yl)-N-(3-phenylphenyl)aniline?

The canonical SMILES for N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-(6-phenyldibenzofuran-4-yl)-N-(3-phenylphenyl)aniline is c1ccc(-c2cccc(N(c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)c3ccccc3-c3cccc4c3oc3c(-c5ccccc5)cccc34)c2)cc1.

What is the InChIKey of N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-(6-phenyldibenzofuran-4-yl)-N-(3-phenylphenyl)aniline?

The InChIKey is OFAHLTZGONHDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2O/c1-3-18-41(19-4-1)44-22-15-23-46(40-44)61(45-38-36-43(37-39-45)47-24-7-11-32-55(47)62-57-34-13-8-25-49(57)50-26-9-14-35-58(50)62)56-33-12-10-27-51(56)52-29-17-31-54-53-30-16-28-48(59(53)63-60(52)54)42-20-5-2-6-21-42/h1-40H.

What are the key properties of N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-(6-phenyldibenzofuran-4-yl)-N-(3-phenylphenyl)aniline?

N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-(6-phenyldibenzofuran-4-yl)-N-(3-phenylphenyl)aniline has a molecular weight of 804.99 g/mol, XLogP of 16.82, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-(6-phenyldibenzofuran-4-yl)-N-(3-phenylphenyl)aniline is sourced from PubChem (CID 139544676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).