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

C66H44N2O — CID 153012599

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

N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]aniline (PubChem CID 153012599) has the molecular formula C66H44N2O and a molecular weight of 881.09 g/mol. Its IUPAC name is N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]aniline.

Molecular Properties

• Compound Name: N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]aniline
• PubChem CID: 153012599
• Molecular Formula: C66H44N2O
• Molecular Weight: 881.09 g/mol
• Exact Mass: 880.35
• IUPAC Name: N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]aniline
• SMILES: c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)c5)cc4)c4cccc(-c5ccc6c(c5)oc5ccccc56)c4)cc3)c2)cc1
• InChI: InChI=1S/C66H44N2O/c1-2-14-45(15-3-1)48-16-10-17-49(40-48)46-30-35-55(36-31-46)67(57-22-12-21-53(42-57)54-34-39-62-61-26-6-9-29-65(61)69-66(62)44-54)56-37-32-47(33-38-56)50-18-11-19-51(41-50)52-20-13-23-58(43-52)68-63-27-7-4-24-59(63)60-25-5-8-28-64(60)68/h1-44H
• InChIKey: VAIUDQHJNKUFER-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-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]aniline?

The IUPAC name of N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]aniline (CID 153012599) is N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]aniline.

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

The canonical SMILES for N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]aniline is c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)c5)cc4)c4cccc(-c5ccc6c(c5)oc5ccccc56)c4)cc3)c2)cc1.

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

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

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

N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]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-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 153012599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).