3-(3,5-diphenylphenyl)-5-(N-phenylanilino)phenol

C36H27NO — CID 167351682

IUPAC3-(3,5-diphenylphenyl)-5-(N-phenylanilino)phenol
SMILESOc1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc(N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C36H27NO/c38-36-25-32(24-35(26-36)37(33-17-9-3-10-18-33)34-19-11-4-12-20-34)31-22-29(27-13-5-1-6-14-27)21-30(23-31)28-15-7-2-8-16-28/h1-26,38H
InChIKeyVPHKVWFHSQTAHR-UHFFFAOYSA-N
MW489.62 g/mol
LogP9.86
Rot. Bonds6

About 3-(3,5-diphenylphenyl)-5-(N-phenylanilino)phenol

3-(3,5-diphenylphenyl)-5-(N-phenylanilino)phenol (PubChem CID 167351682) has the molecular formula C36H27NO and a molecular weight of 489.62 g/mol. Its IUPAC name is 3-(3,5-diphenylphenyl)-5-(N-phenylanilino)phenol.

Molecular Properties

Compound Name3-(3,5-diphenylphenyl)-5-(N-phenylanilino)phenol
PubChem CID167351682
Molecular FormulaC36H27NO
Molecular Weight489.62 g/mol
Exact Mass489.21
IUPAC Name3-(3,5-diphenylphenyl)-5-(N-phenylanilino)phenol
SMILESOc1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc(N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C36H27NO/c38-36-25-32(24-35(26-36)37(33-17-9-3-10-18-33)34-19-11-4-12-20-34)31-22-29(27-13-5-1-6-14-27)21-30(23-31)28-15-7-2-8-16-28/h1-26,38H
InChIKeyVPHKVWFHSQTAHR-UHFFFAOYSA-N
XLogP9.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.62
LogP ≤ 59.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-[4-(N-(3,5-diphenylphenyl)anilino)phenyl]phenyl]phenyl]-N,3,5-triphenylaniline;3,5-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;N,3,5-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159721159
N,N-diphenyl-4-[3-phenyl-5-[4-(N-phenylanilino)phenyl]phenyl]aniline
CID 121368277
N-[4-[4-(N-[4-(3,5-diphenylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline;3,5-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 161155086
N-phenyl-3-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline
CID 166591076
tris(1,1'-biphenyl);N,N-diphenylaniline
CID 175290151
N,N-diphenylaniline;N,4-diphenyl-N-(4-phenylphenyl)aniline;ethane;3-phenyl-N,N-bis(3-phenylphenyl)aniline;4-phenyl-N,N-bis(4-phenylphenyl)aniline;N,N,4-triphenylaniline;N,3,5-triphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 159185873
N-[4-(4-bromophenyl)phenyl]-N,3,5-triphenylaniline
CID 121327890
3-phenyl-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline
CID 126731391
CID 88970975
CID 88970975
3-[4-(N-phenylanilino)phenyl]-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 126502501
N,N-diphenyl-3-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 118689272
N,N-diphenyl-4-[4-(N-[4-[3-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]aniline
CID 59566446

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-diphenylphenyl)-5-(N-phenylanilino)phenol?
The IUPAC name of 3-(3,5-diphenylphenyl)-5-(N-phenylanilino)phenol (CID 167351682) is 3-(3,5-diphenylphenyl)-5-(N-phenylanilino)phenol.
What is the SMILES notation for 3-(3,5-diphenylphenyl)-5-(N-phenylanilino)phenol?
The canonical SMILES for 3-(3,5-diphenylphenyl)-5-(N-phenylanilino)phenol is Oc1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc(N(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 3-(3,5-diphenylphenyl)-5-(N-phenylanilino)phenol?
The InChIKey is VPHKVWFHSQTAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27NO/c38-36-25-32(24-35(26-36)37(33-17-9-3-10-18-33)34-19-11-4-12-20-34)31-22-29(27-13-5-1-6-14-27)21-30(23-31)28-15-7-2-8-16-28/h1-26,38H.
What are the key properties of 3-(3,5-diphenylphenyl)-5-(N-phenylanilino)phenol?
3-(3,5-diphenylphenyl)-5-(N-phenylanilino)phenol has a molecular weight of 489.62 g/mol, XLogP of 9.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-diphenylphenyl)-5-(N-phenylanilino)phenol is sourced from PubChem (CID 167351682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).