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

C78H52N2O — CID 88862471

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

N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]aniline (PubChem CID 88862471) has the molecular formula C78H52N2O and a molecular weight of 1033.29 g/mol. Its IUPAC name is N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]aniline.

Molecular Properties

• Compound Name: N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]aniline
• PubChem CID: 88862471
• Molecular Formula: C78H52N2O
• Molecular Weight: 1033.29 g/mol
• Exact Mass: 1032.41
• IUPAC Name: N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]aniline
• SMILES: c1ccc(-c2cccc(-c3cccc(-c4ccc(N(c5ccc(-c6cccc(-c7cccc(-c8cccc9c8oc8ccccc89)c7)c6)cc5)c5ccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)cc5)cc4)c3)c2)cc1
• InChI: InChI=1S/C78H52N2O/c1-2-16-53(17-3-1)57-18-10-21-60(48-57)61-22-11-19-58(49-61)54-36-42-66(43-37-54)79(68-46-40-56(41-47-68)64-25-14-27-69(52-64)80-75-33-7-4-28-71(75)72-29-5-8-34-76(72)80)67-44-38-55(39-45-67)59-20-12-23-62(50-59)63-24-13-26-65(51-63)70-31-15-32-74-73-30-6-9-35-77(73)81-78(70)74/h1-52H
• InChIKey: FWUVKZUTLHGSPV-UHFFFAOYSA-N
• XLogP: 21.82
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1033.29
LogP ≤ 5	21.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]aniline (CID 88862471) is N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]aniline.

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

The canonical SMILES for N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]aniline is c1ccc(-c2cccc(-c3cccc(-c4ccc(N(c5ccc(-c6cccc(-c7cccc(-c8cccc9c8oc8ccccc89)c7)c6)cc5)c5ccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)cc5)cc4)c3)c2)cc1.

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

The InChIKey is FWUVKZUTLHGSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H52N2O/c1-2-16-53(17-3-1)57-18-10-21-60(48-57)61-22-11-19-58(49-61)54-36-42-66(43-37-54)79(68-46-40-56(41-47-68)64-25-14-27-69(52-64)80-75-33-7-4-28-71(75)72-29-5-8-34-76(72)80)67-44-38-55(39-45-67)59-20-12-23-62(50-59)63-24-13-26-65(51-63)70-31-15-32-74-73-30-6-9-35-77(73)81-78(70)74/h1-52H.

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

N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]aniline has a molecular weight of 1033.29 g/mol, XLogP of 21.82, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]aniline is sourced from PubChem (CID 88862471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).