[3-(N-(3-methylphenyl)anilino)phenyl]-(2-phenylphenyl)methanol

C32H27NO — CID 175180817

IUPAC[3-(N-(3-methylphenyl)anilino)phenyl]-(2-phenylphenyl)methanol
SMILESCc1cccc(N(c2ccccc2)c2cccc(C(O)c3ccccc3-c3ccccc3)c2)c1
InChIInChI=1S/C32H27NO/c1-24-12-10-18-28(22-24)33(27-16-6-3-7-17-27)29-19-11-15-26(23-29)32(34)31-21-9-8-20-30(31)25-13-4-2-5-14-25/h2-23,32,34H,1H3
InChIKeyCTEHXLRFIOQJDE-UHFFFAOYSA-N
MW441.57 g/mol
LogP8.21
Rot. Bonds6

About [3-(N-(3-methylphenyl)anilino)phenyl]-(2-phenylphenyl)methanol

[3-(N-(3-methylphenyl)anilino)phenyl]-(2-phenylphenyl)methanol (PubChem CID 175180817) has the molecular formula C32H27NO and a molecular weight of 441.57 g/mol. Its IUPAC name is [3-(N-(3-methylphenyl)anilino)phenyl]-(2-phenylphenyl)methanol.

Molecular Properties

Compound Name[3-(N-(3-methylphenyl)anilino)phenyl]-(2-phenylphenyl)methanol
PubChem CID175180817
Molecular FormulaC32H27NO
Molecular Weight441.57 g/mol
Exact Mass441.21
IUPAC Name[3-(N-(3-methylphenyl)anilino)phenyl]-(2-phenylphenyl)methanol
SMILESCc1cccc(N(c2ccccc2)c2cccc(C(O)c3ccccc3-c3ccccc3)c2)c1
InChIInChI=1S/C32H27NO/c1-24-12-10-18-28(22-24)33(27-16-6-3-7-17-27)29-19-11-15-26(23-29)32(34)31-21-9-8-20-30(31)25-13-4-2-5-14-25/h2-23,32,34H,1H3
InChIKeyCTEHXLRFIOQJDE-UHFFFAOYSA-N
XLogP8.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.57
LogP ≤ 58.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-phenyl-N-[4-[4-(N-(3-propan-2-ylphenyl)anilino)phenyl]phenyl]aniline
CID 166794561
ethane;3-methyl-N,N-diphenylaniline
CID 145208007
2-[3-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-6-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-(4-phenylphenyl)aniline
CID 167255202
N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)-4-phenylanilino)-2-phenylphenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 20758364
3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
CID 100923468
3-methyl-N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58711214
3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline
CID 21349180
1-N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,4-N,4-N-tris(3-methylphenyl)benzene-1,4-diamine
CID 20734413
3-methyl-N-[4-[4-(N-(3-methylphenyl)-4-propan-2-ylanilino)phenyl]phenyl]-N-phenylaniline
CID 121295792
methanethiol;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 144536774
methane;3-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 158674972
3-methyl-N-(4-methylphenyl)-N-[4-[4-[(3-methylphenyl)-phenylmethyl]phenyl]phenyl]aniline
CID 58059868

Frequently Asked Questions

What is the IUPAC name of [3-(N-(3-methylphenyl)anilino)phenyl]-(2-phenylphenyl)methanol?
The IUPAC name of [3-(N-(3-methylphenyl)anilino)phenyl]-(2-phenylphenyl)methanol (CID 175180817) is [3-(N-(3-methylphenyl)anilino)phenyl]-(2-phenylphenyl)methanol.
What is the SMILES notation for [3-(N-(3-methylphenyl)anilino)phenyl]-(2-phenylphenyl)methanol?
The canonical SMILES for [3-(N-(3-methylphenyl)anilino)phenyl]-(2-phenylphenyl)methanol is Cc1cccc(N(c2ccccc2)c2cccc(C(O)c3ccccc3-c3ccccc3)c2)c1.
What is the InChIKey of [3-(N-(3-methylphenyl)anilino)phenyl]-(2-phenylphenyl)methanol?
The InChIKey is CTEHXLRFIOQJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27NO/c1-24-12-10-18-28(22-24)33(27-16-6-3-7-17-27)29-19-11-15-26(23-29)32(34)31-21-9-8-20-30(31)25-13-4-2-5-14-25/h2-23,32,34H,1H3.
What are the key properties of [3-(N-(3-methylphenyl)anilino)phenyl]-(2-phenylphenyl)methanol?
[3-(N-(3-methylphenyl)anilino)phenyl]-(2-phenylphenyl)methanol has a molecular weight of 441.57 g/mol, XLogP of 8.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(N-(3-methylphenyl)anilino)phenyl]-(2-phenylphenyl)methanol is sourced from PubChem (CID 175180817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).