N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine

C48H33NO — CID 121311330

IUPACN-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5ccc(-c6ccccc6)cc5)c4)c4ccc5c(c4)oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C48H33NO/c1-3-10-34(11-4-1)36-18-20-38(21-19-36)39-26-28-42(29-27-39)49(44-30-31-46-45-16-7-8-17-47(45)50-48(46)33-44)43-15-9-14-41(32-43)40-24-22-37(23-25-40)35-12-5-2-6-13-35/h1-33H
InChIKeyFDHJZHQZVCQGDA-UHFFFAOYSA-N
MW639.80 g/mol
LogP13.72
Rot. Bonds7

About N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine

N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine (PubChem CID 121311330) has the molecular formula C48H33NO and a molecular weight of 639.80 g/mol. Its IUPAC name is N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
PubChem CID121311330
Molecular FormulaC48H33NO
Molecular Weight639.80 g/mol
Exact Mass639.26
IUPAC NameN-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5ccc(-c6ccccc6)cc5)c4)c4ccc5c(c4)oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C48H33NO/c1-3-10-34(11-4-1)36-18-20-38(21-19-36)39-26-28-42(29-27-39)49(44-30-31-46-45-16-7-8-17-47(45)50-48(46)33-44)43-15-9-14-41(32-43)40-24-22-37(23-25-40)35-12-5-2-6-13-35/h1-33H
InChIKeyFDHJZHQZVCQGDA-UHFFFAOYSA-N
XLogP13.72
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.80
LogP ≤ 513.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-phenylphenyl)-N-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 118924585
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 167086964
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-diphenylaniline
CID 167086965
N-[4-[3-(4-phenylphenyl)phenyl]phenyl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 121311288
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-[4-(3-phenylphenyl)phenyl]phenyl]-N-[4-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 121311323
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,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
N-(3-phenylphenyl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[3-[4-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 158679681
N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 167086989
N-dibenzofuran-3-yl-N-[3-(7-phenylphenanthren-2-yl)phenyl]dibenzofuran-3-amine
CID 138743078
3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 121327922

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine (CID 121311330) is N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine is c1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5ccc(-c6ccccc6)cc5)c4)c4ccc5c(c4)oc4ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine?
The InChIKey is FDHJZHQZVCQGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NO/c1-3-10-34(11-4-1)36-18-20-38(21-19-36)39-26-28-42(29-27-39)49(44-30-31-46-45-16-7-8-17-47(45)50-48(46)33-44)43-15-9-14-41(32-43)40-24-22-37(23-25-40)35-12-5-2-6-13-35/h1-33H.
What are the key properties of N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine?
N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine has a molecular weight of 639.80 g/mol, XLogP of 13.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 121311330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).