N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-4-ylphenyl)-2-(2-phenylphenyl)aniline

C60H40N2O — CID 139544519

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

N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-4-ylphenyl)-2-(2-phenylphenyl)aniline (PubChem CID 139544519) 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]-N-(3-dibenzofuran-4-ylphenyl)-2-(2-phenylphenyl)aniline.

Molecular Properties

• Compound Name: N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-4-ylphenyl)-2-(2-phenylphenyl)aniline
• PubChem CID: 139544519
• Molecular Formula: C60H40N2O
• Molecular Weight: 804.99 g/mol
• Exact Mass: 804.31
• IUPAC Name: N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-4-ylphenyl)-2-(2-phenylphenyl)aniline
• SMILES: c1ccc(-c2ccccc2-c2ccccc2N(c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)c2cccc(-c3cccc4c3oc3ccccc34)c2)cc1
• InChI: InChI=1S/C60H40N2O/c1-2-18-41(19-3-1)46-22-4-5-24-49(46)50-25-7-12-32-56(50)61(45-21-16-20-43(40-45)48-29-17-30-54-53-28-10-15-35-59(53)63-60(48)54)44-38-36-42(37-39-44)47-23-6-11-31-55(47)62-57-33-13-8-26-51(57)52-27-9-14-34-58(52)62/h1-40H
• InChIKey: CXSGMOSRFYUFMG-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]-N-(3-dibenzofuran-4-ylphenyl)-2-(2-phenylphenyl)aniline?

The IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-4-ylphenyl)-2-(2-phenylphenyl)aniline (CID 139544519) is N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-4-ylphenyl)-2-(2-phenylphenyl)aniline.

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

The canonical SMILES for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-4-ylphenyl)-2-(2-phenylphenyl)aniline is c1ccc(-c2ccccc2-c2ccccc2N(c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)c2cccc(-c3cccc4c3oc3ccccc34)c2)cc1.

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

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

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

N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-4-ylphenyl)-2-(2-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]-N-(3-dibenzofuran-4-ylphenyl)-2-(2-phenylphenyl)aniline is sourced from PubChem (CID 139544519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).