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

C64H42N2O — CID 153315011

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

N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)aniline (PubChem CID 153315011) has the molecular formula C64H42N2O and a molecular weight of 855.05 g/mol. Its IUPAC name is N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)aniline.

Molecular Properties

• Compound Name: N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)aniline
• PubChem CID: 153315011
• Molecular Formula: C64H42N2O
• Molecular Weight: 855.05 g/mol
• Exact Mass: 854.33
• IUPAC Name: N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)aniline
• SMILES: c1cc(-c2ccc3c(c2)oc2ccccc23)cc(N(c2ccc(-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)cc2)c2ccc(-c3ccc4ccccc4c3)cc2)c1
• InChI: InChI=1S/C64H42N2O/c1-2-12-48-39-51(28-27-43(48)11-1)47-31-36-54(37-32-47)65(55-15-10-14-50(41-55)52-33-38-60-59-19-5-8-22-63(59)67-64(60)42-52)53-34-29-45(30-35-53)44-23-25-46(26-24-44)49-13-9-16-56(40-49)66-61-20-6-3-17-57(61)58-18-4-7-21-62(58)66/h1-42H
• InChIKey: UDXGEMHUZUAXJV-UHFFFAOYSA-N
• XLogP: 17.97
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	855.05
LogP ≤ 5	17.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)aniline (CID 153315011) is N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)aniline.

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

The canonical SMILES for N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)aniline is c1cc(-c2ccc3c(c2)oc2ccccc23)cc(N(c2ccc(-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)cc2)c2ccc(-c3ccc4ccccc4c3)cc2)c1.

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

The InChIKey is UDXGEMHUZUAXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2O/c1-2-12-48-39-51(28-27-43(48)11-1)47-31-36-54(37-32-47)65(55-15-10-14-50(41-55)52-33-38-60-59-19-5-8-22-63(59)67-64(60)42-52)53-34-29-45(30-35-53)44-23-25-46(26-24-44)49-13-9-16-56(40-49)66-61-20-6-3-17-57(61)58-18-4-7-21-62(58)66/h1-42H.

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

N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)aniline has a molecular weight of 855.05 g/mol, XLogP of 17.97, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)aniline is sourced from PubChem (CID 153315011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).