[4-[di(propan-2-yl)amino]phenyl]-diphenylmethanol

C25H29NO — CID 171384011

IUPAC[4-[di(propan-2-yl)amino]phenyl]-diphenylmethanol
SMILESCC(C)N(c1ccc(C(O)(c2ccccc2)c2ccccc2)cc1)C(C)C
InChIInChI=1S/C25H29NO/c1-19(2)26(20(3)4)24-17-15-23(16-18-24)25(27,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-20,27H,1-4H3
InChIKeyCANFPKDDUAQIKW-UHFFFAOYSA-N
MW359.51 g/mol
LogP5.59
Rot. Bonds6

About [4-[di(propan-2-yl)amino]phenyl]-diphenylmethanol

[4-[di(propan-2-yl)amino]phenyl]-diphenylmethanol (PubChem CID 171384011) has the molecular formula C25H29NO and a molecular weight of 359.51 g/mol. Its IUPAC name is [4-[di(propan-2-yl)amino]phenyl]-diphenylmethanol.

Molecular Properties

Compound Name[4-[di(propan-2-yl)amino]phenyl]-diphenylmethanol
PubChem CID171384011
Molecular FormulaC25H29NO
Molecular Weight359.51 g/mol
Exact Mass359.22
IUPAC Name[4-[di(propan-2-yl)amino]phenyl]-diphenylmethanol
SMILESCC(C)N(c1ccc(C(O)(c2ccccc2)c2ccccc2)cc1)C(C)C
InChIInChI=1S/C25H29NO/c1-19(2)26(20(3)4)24-17-15-23(16-18-24)25(27,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-20,27H,1-4H3
InChIKeyCANFPKDDUAQIKW-UHFFFAOYSA-N
XLogP5.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.51
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze [4-[di(propan-2-yl)amino]phenyl]-diphenylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[di(propan-2-yl)amino]phenyl]-diphenylmethanol?
The IUPAC name of [4-[di(propan-2-yl)amino]phenyl]-diphenylmethanol (CID 171384011) is [4-[di(propan-2-yl)amino]phenyl]-diphenylmethanol.
What is the SMILES notation for [4-[di(propan-2-yl)amino]phenyl]-diphenylmethanol?
The canonical SMILES for [4-[di(propan-2-yl)amino]phenyl]-diphenylmethanol is CC(C)N(c1ccc(C(O)(c2ccccc2)c2ccccc2)cc1)C(C)C.
What is the InChIKey of [4-[di(propan-2-yl)amino]phenyl]-diphenylmethanol?
The InChIKey is CANFPKDDUAQIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO/c1-19(2)26(20(3)4)24-17-15-23(16-18-24)25(27,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-20,27H,1-4H3.
What are the key properties of [4-[di(propan-2-yl)amino]phenyl]-diphenylmethanol?
[4-[di(propan-2-yl)amino]phenyl]-diphenylmethanol has a molecular weight of 359.51 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[di(propan-2-yl)amino]phenyl]-diphenylmethanol is sourced from PubChem (CID 171384011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).