N-[4-[4-[3,6-bis(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C84H54N2O2 — CID 118402366

About N-[4-[4-[3,6-bis(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-[4-[3,6-bis(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 118402366) has the molecular formula C84H54N2O2 and a molecular weight of 1123.37 g/mol. Its IUPAC name is N-[4-[4-[3,6-bis(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: N-[4-[4-[3,6-bis(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
• PubChem CID: 118402366
• Molecular Formula: C84H54N2O2
• Molecular Weight: 1123.37 g/mol
• Exact Mass: 1122.42
• IUPAC Name: N-[4-[4-[3,6-bis(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6ccc(-c7ccc(-c8ccc9oc%10ccccc%10c9c8)cc7)cc6c6cc(-c7ccc(-c8ccc9oc%10ccccc%10c9c8)cc7)ccc65)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C84H54N2O2/c1-3-11-55(12-4-1)57-27-39-69(40-28-57)85(70-41-29-58(30-42-70)56-13-5-2-6-14-56)71-43-31-59(32-44-71)60-33-45-72(46-34-60)86-79-47-35-65(61-19-23-63(24-20-61)67-37-49-83-77(53-67)73-15-7-9-17-81(73)87-83)51-75(79)76-52-66(36-48-80(76)86)62-21-25-64(26-22-62)68-38-50-84-78(54-68)74-16-8-10-18-82(74)88-84/h1-54H
• InChIKey: KVUQXNVTEMCNMD-UHFFFAOYSA-N
• XLogP: 23.72
• TPSA: 34.45 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1123.37
LogP ≤ 5	23.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3,6-bis(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

The IUPAC name of N-[4-[4-[3,6-bis(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 118402366) is N-[4-[4-[3,6-bis(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

What is the SMILES notation for N-[4-[4-[3,6-bis(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

The canonical SMILES for N-[4-[4-[3,6-bis(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6ccc(-c7ccc(-c8ccc9oc%10ccccc%10c9c8)cc7)cc6c6cc(-c7ccc(-c8ccc9oc%10ccccc%10c9c8)cc7)ccc65)cc4)cc3)cc2)cc1.

What is the InChIKey of N-[4-[4-[3,6-bis(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

The InChIKey is KVUQXNVTEMCNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H54N2O2/c1-3-11-55(12-4-1)57-27-39-69(40-28-57)85(70-41-29-58(30-42-70)56-13-5-2-6-14-56)71-43-31-59(32-44-71)60-33-45-72(46-34-60)86-79-47-35-65(61-19-23-63(24-20-61)67-37-49-83-77(53-67)73-15-7-9-17-81(73)87-83)51-75(79)76-52-66(36-48-80(76)86)62-21-25-64(26-22-62)68-38-50-84-78(54-68)74-16-8-10-18-82(74)88-84/h1-54H.

What are the key properties of N-[4-[4-[3,6-bis(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

N-[4-[4-[3,6-bis(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 1123.37 g/mol, XLogP of 23.72, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[3,6-bis(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 118402366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).