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

C66H44N2O — CID 118402378

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

N-[4-[4-[3-(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 118402378) has the molecular formula C66H44N2O and a molecular weight of 881.09 g/mol. Its IUPAC name is N-[4-[4-[3-(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: N-[4-[4-[3-(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
• PubChem CID: 118402378
• Molecular Formula: C66H44N2O
• Molecular Weight: 881.09 g/mol
• Exact Mass: 880.35
• IUPAC Name: N-[4-[4-[3-(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc(-c8ccc9oc%10ccccc%10c9c8)cc7)ccc65)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C66H44N2O/c1-3-11-45(12-4-1)47-23-33-55(34-24-47)67(56-35-25-48(26-36-56)46-13-5-2-6-14-46)57-37-27-49(28-38-57)50-29-39-58(40-30-50)68-63-17-9-7-15-59(63)61-43-53(31-41-64(61)68)51-19-21-52(22-20-51)54-32-42-66-62(44-54)60-16-8-10-18-65(60)69-66/h1-44H
• InChIKey: WBVQYLQVZCEKOL-UHFFFAOYSA-N
• XLogP: 18.49
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	881.09
LogP ≤ 5	18.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[4-[4-[3-(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 118402378) is N-[4-[4-[3-(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

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

The canonical SMILES for N-[4-[4-[3-(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc(-c8ccc9oc%10ccccc%10c9c8)cc7)ccc65)cc4)cc3)cc2)cc1.

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

The InChIKey is WBVQYLQVZCEKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2O/c1-3-11-45(12-4-1)47-23-33-55(34-24-47)67(56-35-25-48(26-36-56)46-13-5-2-6-14-46)57-37-27-49(28-38-57)50-29-39-58(40-30-50)68-63-17-9-7-15-59(63)61-43-53(31-41-64(61)68)51-19-21-52(22-20-51)54-32-42-66-62(44-54)60-16-8-10-18-65(60)69-66/h1-44H.

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

N-[4-[4-[3-(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 881.09 g/mol, XLogP of 18.49, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[3-(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 118402378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).