3-(N-[3-[3-(N-(3-hydroxyphenyl)anilino)phenyl]-4-phenylphenyl]anilino)phenol

C42H32N2O2 — CID 66649452

IUPAC3-(N-[3-[3-(N-(3-hydroxyphenyl)anilino)phenyl]-4-phenylphenyl]anilino)phenol
SMILESOc1cccc(N(c2ccccc2)c2cccc(-c3cc(N(c4ccccc4)c4cccc(O)c4)ccc3-c3ccccc3)c2)c1
InChIInChI=1S/C42H32N2O2/c45-39-23-11-21-36(28-39)43(33-16-6-2-7-17-33)35-20-10-15-32(27-35)42-30-38(25-26-41(42)31-13-4-1-5-14-31)44(34-18-8-3-9-19-34)37-22-12-24-40(46)29-37/h1-30,45-46H
InChIKeyOFLOOEYRNZBASY-UHFFFAOYSA-N
MW596.73 g/mol
LogP11.37
Rot. Bonds8

About 3-(N-[3-[3-(N-(3-hydroxyphenyl)anilino)phenyl]-4-phenylphenyl]anilino)phenol

3-(N-[3-[3-(N-(3-hydroxyphenyl)anilino)phenyl]-4-phenylphenyl]anilino)phenol (PubChem CID 66649452) has the molecular formula C42H32N2O2 and a molecular weight of 596.73 g/mol. Its IUPAC name is 3-(N-[3-[3-(N-(3-hydroxyphenyl)anilino)phenyl]-4-phenylphenyl]anilino)phenol.

Molecular Properties

Compound Name3-(N-[3-[3-(N-(3-hydroxyphenyl)anilino)phenyl]-4-phenylphenyl]anilino)phenol
PubChem CID66649452
Molecular FormulaC42H32N2O2
Molecular Weight596.73 g/mol
Exact Mass596.25
IUPAC Name3-(N-[3-[3-(N-(3-hydroxyphenyl)anilino)phenyl]-4-phenylphenyl]anilino)phenol
SMILESOc1cccc(N(c2ccccc2)c2cccc(-c3cc(N(c4ccccc4)c4cccc(O)c4)ccc3-c3ccccc3)c2)c1
InChIInChI=1S/C42H32N2O2/c45-39-23-11-21-36(28-39)43(33-16-6-2-7-17-33)35-20-10-15-32(27-35)42-30-38(25-26-41(42)31-13-4-1-5-14-31)44(34-18-8-3-9-19-34)37-22-12-24-40(46)29-37/h1-30,45-46H
InChIKeyOFLOOEYRNZBASY-UHFFFAOYSA-N
XLogP11.37
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.73
LogP ≤ 511.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 18780381
3-(2-phenylphenyl)-N,N-bis[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 146665629
4-phenyl-N,N,3-tris(4-phenylphenyl)aniline
CID 121477646
N,N-diphenyl-3-[2-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58729717
3-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-(4-phenylphenyl)-N-[4-[2-(3-phenylphenyl)phenyl]phenyl]aniline;3-phenyl-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 161496261
3-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121386998
N-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline
CID 146664996
N,N-bis(3-phenanthren-9-ylphenyl)-3,4-diphenylaniline
CID 142614676
1-N,1-N,4-N-triphenyl-4-N-[3-[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 131863770
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003706
ethane;3-(N-(4-methylphenyl)anilino)phenol
CID 144899078
4-[4,5-diphenyl-2-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 58943769

Frequently Asked Questions

What is the IUPAC name of 3-(N-[3-[3-(N-(3-hydroxyphenyl)anilino)phenyl]-4-phenylphenyl]anilino)phenol?
The IUPAC name of 3-(N-[3-[3-(N-(3-hydroxyphenyl)anilino)phenyl]-4-phenylphenyl]anilino)phenol (CID 66649452) is 3-(N-[3-[3-(N-(3-hydroxyphenyl)anilino)phenyl]-4-phenylphenyl]anilino)phenol.
What is the SMILES notation for 3-(N-[3-[3-(N-(3-hydroxyphenyl)anilino)phenyl]-4-phenylphenyl]anilino)phenol?
The canonical SMILES for 3-(N-[3-[3-(N-(3-hydroxyphenyl)anilino)phenyl]-4-phenylphenyl]anilino)phenol is Oc1cccc(N(c2ccccc2)c2cccc(-c3cc(N(c4ccccc4)c4cccc(O)c4)ccc3-c3ccccc3)c2)c1.
What is the InChIKey of 3-(N-[3-[3-(N-(3-hydroxyphenyl)anilino)phenyl]-4-phenylphenyl]anilino)phenol?
The InChIKey is OFLOOEYRNZBASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32N2O2/c45-39-23-11-21-36(28-39)43(33-16-6-2-7-17-33)35-20-10-15-32(27-35)42-30-38(25-26-41(42)31-13-4-1-5-14-31)44(34-18-8-3-9-19-34)37-22-12-24-40(46)29-37/h1-30,45-46H.
What are the key properties of 3-(N-[3-[3-(N-(3-hydroxyphenyl)anilino)phenyl]-4-phenylphenyl]anilino)phenol?
3-(N-[3-[3-(N-(3-hydroxyphenyl)anilino)phenyl]-4-phenylphenyl]anilino)phenol has a molecular weight of 596.73 g/mol, XLogP of 11.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-[3-[3-(N-(3-hydroxyphenyl)anilino)phenyl]-4-phenylphenyl]anilino)phenol is sourced from PubChem (CID 66649452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).