3-dibenzofuran-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline

C66H44N2O — CID 170665542

IUPAC3-dibenzofuran-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)c3cccc(-c4cccc5oc6ccccc6c45)c3-c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C66H44N2O/c1-4-18-45(19-5-1)46-34-39-51(40-35-46)67(52-41-36-47(37-42-52)49-38-43-55-54-25-12-14-30-60(54)68(62(55)44-49)50-22-8-3-9-23-50)61-31-16-28-57(58-29-17-33-64-66(58)59-27-13-15-32-63(59)69-64)65(61)56-26-11-10-24-53(56)48-20-6-2-7-21-48/h1-44H
InChIKeyYTNKBVAHRSGXPX-UHFFFAOYSA-N
MW881.09 g/mol
LogP18.49
Rot. Bonds9

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

3-dibenzofuran-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline (PubChem CID 170665542) has the molecular formula C66H44N2O and a molecular weight of 881.09 g/mol. Its IUPAC name is 3-dibenzofuran-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-dibenzofuran-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
PubChem CID170665542
Molecular FormulaC66H44N2O
Molecular Weight881.09 g/mol
Exact Mass880.35
IUPAC Name3-dibenzofuran-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)c3cccc(-c4cccc5oc6ccccc6c45)c3-c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C66H44N2O/c1-4-18-45(19-5-1)46-34-39-51(40-35-46)67(52-41-36-47(37-42-52)49-38-43-55-54-25-12-14-30-60(54)68(62(55)44-49)50-22-8-3-9-23-50)61-31-16-28-57(58-29-17-33-64-66(58)59-27-13-15-32-63(59)69-64)65(61)56-26-11-10-24-53(56)48-20-6-2-7-21-48/h1-44H
InChIKeyYTNKBVAHRSGXPX-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-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-[2-(2-phenylphenyl)phenyl]aniline
CID 155398441
N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[4-[3-[4-[9-[2-[4-(2-dibenzofuran-1-yl-N-[2-(2-phenylphenyl)phenyl]anilino)phenyl]phenyl]carbazol-2-yl]phenyl]phenyl]phenyl]aniline
CID 155398276
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168790977
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline
CID 155398224
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-phenylphenyl)aniline
CID 155398540
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172503050
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-(3-carbazol-9-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 168788939
N-dibenzofuran-1-yl-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169010129
3-dibenzofuran-1-yl-9-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 164993215
N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-4-amine
CID 168789749
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501079

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline?
The IUPAC name of 3-dibenzofuran-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline (CID 170665542) is 3-dibenzofuran-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 3-dibenzofuran-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for 3-dibenzofuran-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)c3cccc(-c4cccc5oc6ccccc6c45)c3-c3ccccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 3-dibenzofuran-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline?
The InChIKey is YTNKBVAHRSGXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2O/c1-4-18-45(19-5-1)46-34-39-51(40-35-46)67(52-41-36-47(37-42-52)49-38-43-55-54-25-12-14-30-60(54)68(62(55)44-49)50-22-8-3-9-23-50)61-31-16-28-57(58-29-17-33-64-66(58)59-27-13-15-32-63(59)69-64)65(61)56-26-11-10-24-53(56)48-20-6-2-7-21-48/h1-44H.
What are the key properties of 3-dibenzofuran-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline?
3-dibenzofuran-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)-N-(4-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 3-dibenzofuran-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 170665542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).