3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline

C66H46N2O — CID 167086964

IUPAC3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccc7c(c6)oc6ccccc67)cc5)c4)c3)cc2)cc1
InChIInChI=1S/C66H46N2O/c1-4-14-47(15-5-1)50-26-35-57(36-27-50)67(58-37-28-51(29-38-58)48-16-6-2-7-17-48)61-22-12-20-54(44-61)55-21-13-23-62(45-55)68(59-39-30-52(31-40-59)49-18-8-3-9-19-49)60-41-32-53(33-42-60)56-34-43-64-63-24-10-11-25-65(63)69-66(64)46-56/h1-46H
InChIKeyDZABEWYGENYUAV-UHFFFAOYSA-N
MW883.11 g/mol
LogP18.86
Rot. Bonds11

About 3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline

3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline (PubChem CID 167086964) has the molecular formula C66H46N2O and a molecular weight of 883.11 g/mol. Its IUPAC name is 3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline
PubChem CID167086964
Molecular FormulaC66H46N2O
Molecular Weight883.11 g/mol
Exact Mass882.36
IUPAC Name3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccc7c(c6)oc6ccccc67)cc5)c4)c3)cc2)cc1
InChIInChI=1S/C66H46N2O/c1-4-14-47(15-5-1)50-26-35-57(36-27-50)67(58-37-28-51(29-38-58)48-16-6-2-7-17-48)61-22-12-20-54(44-61)55-21-13-23-62(45-55)68(59-39-30-52(31-40-59)49-18-8-3-9-19-49)60-41-32-53(33-42-60)56-34-43-64-63-24-10-11-25-65(63)69-66(64)46-56/h1-46H
InChIKeyDZABEWYGENYUAV-UHFFFAOYSA-N
XLogP18.86
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.11
LogP ≤ 518.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-diphenylaniline
CID 167086965
N-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N,3-diphenylaniline;N-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 161375277
N-(4-phenylphenyl)-N-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 118924585
N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311330
N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118186800
N,N-bis(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline
CID 129130047
N-(4-phenylphenyl)-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 160832647
N-[4-[3-(4-phenylphenyl)phenyl]phenyl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 121311288
N-[4-[4-(3-phenylphenyl)phenyl]phenyl]-N-[4-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 121311323
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 167324119
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324392
3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 121327922

Frequently Asked Questions

What is the IUPAC name of 3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline?
The IUPAC name of 3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline (CID 167086964) is 3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline.
What is the SMILES notation for 3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline?
The canonical SMILES for 3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccc7c(c6)oc6ccccc67)cc5)c4)c3)cc2)cc1.
What is the InChIKey of 3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline?
The InChIKey is DZABEWYGENYUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N2O/c1-4-14-47(15-5-1)50-26-35-57(36-27-50)67(58-37-28-51(29-38-58)48-16-6-2-7-17-48)61-22-12-20-54(44-61)55-21-13-23-62(45-55)68(59-39-30-52(31-40-59)49-18-8-3-9-19-49)60-41-32-53(33-42-60)56-34-43-64-63-24-10-11-25-65(63)69-66(64)46-56/h1-46H.
What are the key properties of 3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline?
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline has a molecular weight of 883.11 g/mol, XLogP of 18.86, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline is sourced from PubChem (CID 167086964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).