N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)aniline

C78H48N2O3 — CID 118901537

About N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)aniline

N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)aniline (PubChem CID 118901537) has the molecular formula C78H48N2O3 and a molecular weight of 1061.25 g/mol. Its IUPAC name is N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)aniline.

Molecular Properties

• Compound Name: N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)aniline
• PubChem CID: 118901537
• Molecular Formula: C78H48N2O3
• Molecular Weight: 1061.25 g/mol
• Exact Mass: 1060.37
• IUPAC Name: N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)aniline
• SMILES: c1cc(-c2ccc(N(c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)c3ccc(-c4ccc5oc6ccc(-c7ccc8oc9ccccc9c8c7)cc6c5c4)cc3)cc2)cc(-c2cccc3c2oc2ccccc23)c1
• InChI: InChI=1S/C78H48N2O3/c1-5-22-71-63(16-1)64-17-2-6-23-72(64)80(71)61-15-10-13-53(45-61)50-28-37-59(38-29-50)79(58-35-26-49(27-36-58)52-12-9-14-57(44-52)62-20-11-21-67-65-18-3-8-25-74(65)83-78(62)67)60-39-30-51(31-40-60)54-32-41-76-69(46-54)70-48-56(34-43-77(70)82-76)55-33-42-75-68(47-55)66-19-4-7-24-73(66)81-75/h1-48H
• InChIKey: RCQAQPKMYAUJIT-UHFFFAOYSA-N
• XLogP: 22.29
• TPSA: 47.59 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1061.25
LogP ≤ 5	22.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)aniline?

The IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)aniline (CID 118901537) is N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)aniline.

What is the SMILES notation for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)aniline?

The canonical SMILES for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)aniline is c1cc(-c2ccc(N(c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)c3ccc(-c4ccc5oc6ccc(-c7ccc8oc9ccccc9c8c7)cc6c5c4)cc3)cc2)cc(-c2cccc3c2oc2ccccc23)c1.

What is the InChIKey of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)aniline?

The InChIKey is RCQAQPKMYAUJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H48N2O3/c1-5-22-71-63(16-1)64-17-2-6-23-72(64)80(71)61-15-10-13-53(45-61)50-28-37-59(38-29-50)79(58-35-26-49(27-36-58)52-12-9-14-57(44-52)62-20-11-21-67-65-18-3-8-25-74(65)83-78(62)67)60-39-30-51(31-40-60)54-32-41-76-69(46-54)70-48-56(34-43-77(70)82-76)55-33-42-75-68(47-55)66-19-4-7-24-73(66)81-75/h1-48H.

What are the key properties of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)aniline?

N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)aniline has a molecular weight of 1061.25 g/mol, XLogP of 22.29, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)aniline is sourced from PubChem (CID 118901537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).