N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline

C60H40N2O — CID 155398224

IUPACN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline
SMILESc1ccc(-c2ccccc2-c2ccccc2N(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccc(-c3cccc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C60H40N2O/c1-2-15-43(16-3-1)48-17-4-5-18-50(48)51-19-6-10-24-55(51)61(46-39-33-44(34-40-46)49-23-14-28-59-60(49)54-22-9-13-27-58(54)63-59)45-35-29-41(30-36-45)42-31-37-47(38-32-42)62-56-25-11-7-20-52(56)53-21-8-12-26-57(53)62/h1-40H
InChIKeyGNYAFLDEEOFQTI-UHFFFAOYSA-N
MW804.99 g/mol
LogP16.82
Rot. Bonds8

About N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline

N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline (PubChem CID 155398224) has the molecular formula C60H40N2O and a molecular weight of 804.99 g/mol. Its IUPAC name is N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline
PubChem CID155398224
Molecular FormulaC60H40N2O
Molecular Weight804.99 g/mol
Exact Mass804.31
IUPAC NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline
SMILESc1ccc(-c2ccccc2-c2ccccc2N(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccc(-c3cccc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C60H40N2O/c1-2-15-43(16-3-1)48-17-4-5-18-50(48)51-19-6-10-24-55(51)61(46-39-33-44(34-40-46)49-23-14-28-59-60(49)54-22-9-13-27-58(54)63-59)45-35-29-41(30-36-45)42-31-37-47(38-32-42)62-56-25-11-7-20-52(56)53-21-8-12-26-57(53)62/h1-40H
InChIKeyGNYAFLDEEOFQTI-UHFFFAOYSA-N
XLogP16.82
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.99
LogP ≤ 516.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline
CID 155398519
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172503050
N-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-2-phenylaniline
CID 155649255
N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172502154
N-(4-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-[3-(2-phenylphenyl)phenyl]aniline
CID 155398745
4-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 155398444
N-(4-carbazol-9-ylphenyl)-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 172501190
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-[3-(3-phenylphenyl)phenyl]aniline
CID 155398660
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 172501663
N-(4-carbazol-9-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-4-amine
CID 172502401
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-[2-(2-phenylphenyl)phenyl]aniline
CID 155398441
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 155398414

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline?
The IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline (CID 155398224) is N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline?
The canonical SMILES for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline is c1ccc(-c2ccccc2-c2ccccc2N(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccc(-c3cccc4oc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline?
The InChIKey is GNYAFLDEEOFQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2O/c1-2-15-43(16-3-1)48-17-4-5-18-50(48)51-19-6-10-24-55(51)61(46-39-33-44(34-40-46)49-23-14-28-59-60(49)54-22-9-13-27-58(54)63-59)45-35-29-41(30-36-45)42-31-37-47(38-32-42)62-56-25-11-7-20-52(56)53-21-8-12-26-57(53)62/h1-40H.
What are the key properties of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline?
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline has a molecular weight of 804.99 g/mol, XLogP of 16.82, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline is sourced from PubChem (CID 155398224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).