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

C66H44N2O — CID 153314933

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

N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]aniline (PubChem CID 153314933) has the molecular formula C66H44N2O and a molecular weight of 881.09 g/mol. Its IUPAC name is N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]aniline.

Molecular Properties

• Compound Name: N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]aniline
• PubChem CID: 153314933
• Molecular Formula: C66H44N2O
• Molecular Weight: 881.09 g/mol
• Exact Mass: 880.35
• IUPAC Name: N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]aniline
• SMILES: c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c5)cc4)c4ccccc4-c4ccc5c(c4)oc4ccccc45)cc3)c2)cc1
• InChI: InChI=1S/C66H44N2O/c1-2-14-45(15-3-1)49-16-12-17-50(42-49)46-28-35-54(36-29-46)67(62-24-8-4-20-57(62)53-34-41-61-60-23-7-11-27-65(60)69-66(61)44-53)55-37-30-47(31-38-55)51-18-13-19-52(43-51)48-32-39-56(40-33-48)68-63-25-9-5-21-58(63)59-22-6-10-26-64(59)68/h1-44H
• InChIKey: MAFNKTDLJVTNCQ-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-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]aniline?

The IUPAC name of N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]aniline (CID 153314933) is N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]aniline.

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

The canonical SMILES for N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]aniline is c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c5)cc4)c4ccccc4-c4ccc5c(c4)oc4ccccc45)cc3)c2)cc1.

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

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

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

N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-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-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 153314933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).