N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline

C66H44N2O — CID 155398519

IUPACN-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline
SMILESc1ccc(-c2ccccc2-c2ccccc2N(c2ccc(-c3cccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)cc2)c2cccc(-c3cccc4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C66H44N2O/c1-2-17-47(18-3-1)54-23-4-5-24-56(54)57-25-6-10-30-61(57)67(53-22-15-21-50(44-53)55-29-16-34-65-66(55)60-28-9-13-33-64(60)69-65)51-39-35-45(36-40-51)48-19-14-20-49(43-48)46-37-41-52(42-38-46)68-62-31-11-7-26-58(62)59-27-8-12-32-63(59)68/h1-44H
InChIKeyZSJSAASDGFHEGH-UHFFFAOYSA-N
MW881.09 g/mol
LogP18.49
Rot. Bonds9

About N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline

N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline (PubChem CID 155398519) has the molecular formula C66H44N2O and a molecular weight of 881.09 g/mol. Its IUPAC name is N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline
PubChem CID155398519
Molecular FormulaC66H44N2O
Molecular Weight881.09 g/mol
Exact Mass880.35
IUPAC NameN-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline
SMILESc1ccc(-c2ccccc2-c2ccccc2N(c2ccc(-c3cccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)cc2)c2cccc(-c3cccc4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C66H44N2O/c1-2-17-47(18-3-1)54-23-4-5-24-56(54)57-25-6-10-30-61(57)67(53-22-15-21-50(44-53)55-29-16-34-65-66(55)60-28-9-13-33-64(60)69-65)51-39-35-45(36-40-51)48-19-14-20-49(43-48)46-37-41-52(42-38-46)68-62-31-11-7-26-58(62)59-27-8-12-32-63(59)68/h1-44H
InChIKeyZSJSAASDGFHEGH-UHFFFAOYSA-N
XLogP18.49
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.09
LogP ≤ 518.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-[3-(3-phenylphenyl)phenyl]aniline
CID 155398660
N-(4-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-[3-(2-phenylphenyl)phenyl]aniline
CID 155398745
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline
CID 155398224
N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-dibenzofuran-1-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 155649267
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[2-(2-phenylphenyl)phenyl]aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[3-(2-phenylphenyl)phenyl]aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 162216331
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-(2-phenylphenyl)aniline
CID 155398018
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-phenylaniline
CID 155649256
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-(4-phenylphenyl)aniline
CID 155397977
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-1-yl-N-phenylaniline
CID 155398130
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline
CID 153314795
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 155398414
4-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 155398444

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline?
The IUPAC name of N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline (CID 155398519) is N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline?
The canonical SMILES for N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline is c1ccc(-c2ccccc2-c2ccccc2N(c2ccc(-c3cccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)cc2)c2cccc(-c3cccc4oc5ccccc5c34)c2)cc1.
What is the InChIKey of N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline?
The InChIKey is ZSJSAASDGFHEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2O/c1-2-17-47(18-3-1)54-23-4-5-24-56(54)57-25-6-10-30-61(57)67(53-22-15-21-50(44-53)55-29-16-34-65-66(55)60-28-9-13-33-64(60)69-65)51-39-35-45(36-40-51)48-19-14-20-49(43-48)46-37-41-52(42-38-46)68-62-31-11-7-26-58(62)59-27-8-12-32-63(59)68/h1-44H.
What are the key properties of N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline?
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline has a molecular weight of 881.09 g/mol, XLogP of 18.49, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline is sourced from PubChem (CID 155398519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).