[4-(hydroxymethyl)-3-[4-(N-phenylanilino)phenyl]phenyl]methanol

C26H23NO2 — CID 18504276

IUPAC[4-(hydroxymethyl)-3-[4-(N-phenylanilino)phenyl]phenyl]methanol
SMILESOCc1ccc(CO)c(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1
InChIInChI=1S/C26H23NO2/c28-18-20-11-12-22(19-29)26(17-20)21-13-15-25(16-14-21)27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-17,28-29H,18-19H2
InChIKeyKRZFNBOVAJIAPV-UHFFFAOYSA-N
MW381.48 g/mol
LogP5.81
Rot. Bonds6

About [4-(hydroxymethyl)-3-[4-(N-phenylanilino)phenyl]phenyl]methanol

[4-(hydroxymethyl)-3-[4-(N-phenylanilino)phenyl]phenyl]methanol (PubChem CID 18504276) has the molecular formula C26H23NO2 and a molecular weight of 381.48 g/mol. Its IUPAC name is [4-(hydroxymethyl)-3-[4-(N-phenylanilino)phenyl]phenyl]methanol.

Molecular Properties

Compound Name[4-(hydroxymethyl)-3-[4-(N-phenylanilino)phenyl]phenyl]methanol
PubChem CID18504276
Molecular FormulaC26H23NO2
Molecular Weight381.48 g/mol
Exact Mass381.17
IUPAC Name[4-(hydroxymethyl)-3-[4-(N-phenylanilino)phenyl]phenyl]methanol
SMILESOCc1ccc(CO)c(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1
InChIInChI=1S/C26H23NO2/c28-18-20-11-12-22(19-29)26(17-20)21-13-15-25(16-14-21)27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-17,28-29H,18-19H2
InChIKeyKRZFNBOVAJIAPV-UHFFFAOYSA-N
XLogP5.81
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diphenylaniline;phenylmethanol
CID 174958363
4-[4,5-diphenyl-2-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 58943769
[4-(N-(4-ethylphenyl)-4-methylanilino)phenyl]methanol;[4-(N-[4-(hydroxymethyl)phenyl]anilino)phenyl]methanol
CID 159917038
[4-[N-(3,4-dimethylphenyl)-4-(hydroxymethyl)anilino]phenyl]methanol;[4-[4-[4-[4-(hydroxymethyl)-N-[4-(hydroxymethyl)-3-methylphenyl]anilino]phenyl]-N-[4-(hydroxymethyl)-3-methylphenyl]anilino]phenyl]methanol;[4-[4-(hydroxymethyl)-N-(4-phenylphenyl)anilino]phenyl]methanol;3-(N-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]anilino)phenol;3-(N-[4-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]phenyl]anilino)phenol
CID 162220558
N,N-diphenyl-4-[4-[3,6,7-tris[4-[4-(N-phenylanilino)phenyl]phenyl]biphenylen-2-yl]phenyl]aniline
CID 163604474
N-[4-(4-ethyl-2-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 146665820
[4-[N-[4-(hydroxymethyl)-3-methylphenyl]-4-[4-(N-[4-(hydroxymethyl)-3-methylphenyl]-4-methylanilino)phenyl]anilino]phenyl]methanol
CID 59392122
N,N-diphenyl-4-[4-[4-[(N-phenylanilino)methyl]phenyl]phenyl]aniline
CID 155085132
1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505
N-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-3-[4-(N-phenylanilino)phenyl]phenyl]methanol?
The IUPAC name of [4-(hydroxymethyl)-3-[4-(N-phenylanilino)phenyl]phenyl]methanol (CID 18504276) is [4-(hydroxymethyl)-3-[4-(N-phenylanilino)phenyl]phenyl]methanol.
What is the SMILES notation for [4-(hydroxymethyl)-3-[4-(N-phenylanilino)phenyl]phenyl]methanol?
The canonical SMILES for [4-(hydroxymethyl)-3-[4-(N-phenylanilino)phenyl]phenyl]methanol is OCc1ccc(CO)c(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1.
What is the InChIKey of [4-(hydroxymethyl)-3-[4-(N-phenylanilino)phenyl]phenyl]methanol?
The InChIKey is KRZFNBOVAJIAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO2/c28-18-20-11-12-22(19-29)26(17-20)21-13-15-25(16-14-21)27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-17,28-29H,18-19H2.
What are the key properties of [4-(hydroxymethyl)-3-[4-(N-phenylanilino)phenyl]phenyl]methanol?
[4-(hydroxymethyl)-3-[4-(N-phenylanilino)phenyl]phenyl]methanol has a molecular weight of 381.48 g/mol, XLogP of 5.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-3-[4-(N-phenylanilino)phenyl]phenyl]methanol is sourced from PubChem (CID 18504276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).