[4-[[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl]amino]phenyl]-diphenylmethanol

C39H32ClNO — CID 67679535

IUPAC[4-[[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl]amino]phenyl]-diphenylmethanol
SMILESCc1ccc(C(Nc2ccc(C(O)(c3ccccc3)c3ccccc3)cc2)(c2ccccc2)c2ccccc2Cl)cc1
InChIInChI=1S/C39H32ClNO/c1-29-21-23-31(24-22-29)38(30-13-5-2-6-14-30,36-19-11-12-20-37(36)40)41-35-27-25-34(26-28-35)39(42,32-15-7-3-8-16-32)33-17-9-4-10-18-33/h2-28,41-42H,1H3
InChIKeyPPPPOCWKGVWDKM-UHFFFAOYSA-N
MW566.14 g/mol
LogP9.34
Rot. Bonds8

About [4-[[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl]amino]phenyl]-diphenylmethanol

[4-[[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl]amino]phenyl]-diphenylmethanol (PubChem CID 67679535) has the molecular formula C39H32ClNO and a molecular weight of 566.14 g/mol. Its IUPAC name is [4-[[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl]amino]phenyl]-diphenylmethanol.

Molecular Properties

Compound Name[4-[[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl]amino]phenyl]-diphenylmethanol
PubChem CID67679535
Molecular FormulaC39H32ClNO
Molecular Weight566.14 g/mol
Exact Mass565.22
IUPAC Name[4-[[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl]amino]phenyl]-diphenylmethanol
SMILESCc1ccc(C(Nc2ccc(C(O)(c3ccccc3)c3ccccc3)cc2)(c2ccccc2)c2ccccc2Cl)cc1
InChIInChI=1S/C39H32ClNO/c1-29-21-23-31(24-22-29)38(30-13-5-2-6-14-30,36-19-11-12-20-37(36)40)41-35-27-25-34(26-28-35)39(42,32-15-7-3-8-16-32)33-17-9-4-10-18-33/h2-28,41-42H,1H3
InChIKeyPPPPOCWKGVWDKM-UHFFFAOYSA-N
XLogP9.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.14
LogP ≤ 59.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chlorophenyl)-diphenylmethyl]pyridin-2-amine
CID 22660829
N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine
CID 22660831
1-chloro-2-[chloro(diphenyl)methyl]benzene;toluene
CID 175216285
N-[(2-chlorophenyl)-diphenylmethyl]-3-(trifluoromethoxy)aniline
CID 162534506
2-[[(2-chlorophenyl)-diphenylmethyl]amino]acetic acid
CID 67323005
[4-[1,1-bis[4-[hydroxy(diphenyl)methyl]phenyl]ethyl]phenyl]-diphenylmethanol
CID 153299511
bis(4-methylphenyl)-(2-sulfanylphenyl)methanol
CID 139640876
3,4-dimethyl-N-tritylaniline
CID 7122328
[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] 2-aminopropanoate
CID 21037585
(2S)-1-[(2-chlorophenyl)-(4-methylphenyl)-phenylmethoxy]-3-methylbutan-2-amine
CID 51341320
benzotriazol-1-yl (2S)-2-[[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl]amino]-4-methylpentanoate
CID 51341289
(1R)-1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 73415977

Frequently Asked Questions

What is the IUPAC name of [4-[[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl]amino]phenyl]-diphenylmethanol?
The IUPAC name of [4-[[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl]amino]phenyl]-diphenylmethanol (CID 67679535) is [4-[[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl]amino]phenyl]-diphenylmethanol.
What is the SMILES notation for [4-[[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl]amino]phenyl]-diphenylmethanol?
The canonical SMILES for [4-[[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl]amino]phenyl]-diphenylmethanol is Cc1ccc(C(Nc2ccc(C(O)(c3ccccc3)c3ccccc3)cc2)(c2ccccc2)c2ccccc2Cl)cc1.
What is the InChIKey of [4-[[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl]amino]phenyl]-diphenylmethanol?
The InChIKey is PPPPOCWKGVWDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H32ClNO/c1-29-21-23-31(24-22-29)38(30-13-5-2-6-14-30,36-19-11-12-20-37(36)40)41-35-27-25-34(26-28-35)39(42,32-15-7-3-8-16-32)33-17-9-4-10-18-33/h2-28,41-42H,1H3.
What are the key properties of [4-[[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl]amino]phenyl]-diphenylmethanol?
[4-[[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl]amino]phenyl]-diphenylmethanol has a molecular weight of 566.14 g/mol, XLogP of 9.34, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl]amino]phenyl]-diphenylmethanol is sourced from PubChem (CID 67679535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).