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

C70H46N2O — CID 139545447

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

N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline (PubChem CID 139545447) has the molecular formula C70H46N2O and a molecular weight of 931.15 g/mol. Its IUPAC name is N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline.

Molecular Properties

• Compound Name: N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
• PubChem CID: 139545447
• Molecular Formula: C70H46N2O
• Molecular Weight: 931.15 g/mol
• Exact Mass: 930.36
• IUPAC Name: N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
• SMILES: c1cc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2)cc(-c2ccccc2-n2c3ccccc3c3ccccc32)c1
• InChI: InChI=1S/C70H46N2O/c1-2-14-53-45-55(32-29-47(53)13-1)51-37-43-59(44-38-51)71(57-39-33-49(34-40-57)48-27-30-52(31-28-48)61-21-12-22-65-64-20-6-10-26-69(64)73-70(61)65)58-41-35-50(36-42-58)54-15-11-16-56(46-54)60-17-3-7-23-66(60)72-67-24-8-4-18-62(67)63-19-5-9-25-68(63)72/h1-46H
• InChIKey: LTILWCGUYKIBSV-UHFFFAOYSA-N
• XLogP: 19.64
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	931.15
LogP ≤ 5	19.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline (CID 139545447) is N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline.

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

The canonical SMILES for N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline is c1cc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2)cc(-c2ccccc2-n2c3ccccc3c3ccccc32)c1.

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

The InChIKey is LTILWCGUYKIBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H46N2O/c1-2-14-53-45-55(32-29-47(53)13-1)51-37-43-59(44-38-51)71(57-39-33-49(34-40-57)48-27-30-52(31-28-48)61-21-12-22-65-64-20-6-10-26-69(64)73-70(61)65)58-41-35-50(36-42-58)54-15-11-16-56(46-54)60-17-3-7-23-66(60)72-67-24-8-4-18-62(67)63-19-5-9-25-68(63)72/h1-46H.

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

N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline has a molecular weight of 931.15 g/mol, XLogP of 19.64, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline is sourced from PubChem (CID 139545447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).