1,3-bis[4-(N-phenylanilino)phenyl]propan-1-ol

C39H34N2O — CID 23561857

IUPAC1,3-bis[4-(N-phenylanilino)phenyl]propan-1-ol
SMILESOC(CCc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C39H34N2O/c42-39(32-24-28-38(29-25-32)41(35-17-9-3-10-18-35)36-19-11-4-12-20-36)30-23-31-21-26-37(27-22-31)40(33-13-5-1-6-14-33)34-15-7-2-8-16-34/h1-22,24-29,39,42H,23,30H2
InChIKeyGPZXSBCMKVAJDD-UHFFFAOYSA-N
MW546.71 g/mol
LogP10.29
Rot. Bonds10

About 1,3-bis[4-(N-phenylanilino)phenyl]propan-1-ol

1,3-bis[4-(N-phenylanilino)phenyl]propan-1-ol (PubChem CID 23561857) has the molecular formula C39H34N2O and a molecular weight of 546.71 g/mol. Its IUPAC name is 1,3-bis[4-(N-phenylanilino)phenyl]propan-1-ol.

Molecular Properties

Compound Name1,3-bis[4-(N-phenylanilino)phenyl]propan-1-ol
PubChem CID23561857
Molecular FormulaC39H34N2O
Molecular Weight546.71 g/mol
Exact Mass546.27
IUPAC Name1,3-bis[4-(N-phenylanilino)phenyl]propan-1-ol
SMILESOC(CCc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C39H34N2O/c42-39(32-24-28-38(29-25-32)41(35-17-9-3-10-18-35)36-19-11-4-12-20-36)30-23-31-21-26-37(27-22-31)40(33-13-5-1-6-14-33)34-15-7-2-8-16-34/h1-22,24-29,39,42H,23,30H2
InChIKeyGPZXSBCMKVAJDD-UHFFFAOYSA-N
XLogP10.29
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.71
LogP ≤ 510.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,3-bis[4-(N-phenylanilino)phenyl]propan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

(1R)-1,3-diphenylpropan-1-ol
CID 11845542
4-(3-hydroxy-3-phenylpropyl)phenol
CID 54456955
1-N,4-N-diphenyl-1-N,4-N-bis(4-propylphenyl)benzene-1,4-diamine
CID 157362668
2-[4-[[4-[4-(N-[4-(2-hydroxyethyl)phenyl]anilino)phenyl]phenyl]-phenylmethyl]phenyl]ethanol
CID 54265390
1-(4-ethylphenyl)-3-(4-methylphenyl)propan-1-ol
CID 105084361
3-phenyl-1-(4-propoxyphenyl)propan-1-ol
CID 62795595
(1R)-3-naphthalen-2-yl-1-phenylpropan-1-ol
CID 171482397
1-(4-nitrophenyl)-3-phenylpropan-1-ol
CID 155543661
1-(4-methylsulfonylphenyl)-3-phenylpropan-1-ol
CID 114979015
3-methyl-N-[4-[4-[3-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-1-phenylpropyl]phenyl]phenyl]-N-(3-methylphenyl)aniline
CID 134172904
N,N-diphenyl-4-[2-[3-[2-[4-(N-phenylanilino)phenyl]ethyl]phenyl]ethyl]aniline
CID 14646517
N-[4-[4-(N-(4-hexan-3-ylphenyl)anilino)phenyl]phenyl]-N-phenyl-4-propylaniline
CID 71125825

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[4-(N-phenylanilino)phenyl]propan-1-ol?
The IUPAC name of 1,3-bis[4-(N-phenylanilino)phenyl]propan-1-ol (CID 23561857) is 1,3-bis[4-(N-phenylanilino)phenyl]propan-1-ol.
What is the SMILES notation for 1,3-bis[4-(N-phenylanilino)phenyl]propan-1-ol?
The canonical SMILES for 1,3-bis[4-(N-phenylanilino)phenyl]propan-1-ol is OC(CCc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1,3-bis[4-(N-phenylanilino)phenyl]propan-1-ol?
The InChIKey is GPZXSBCMKVAJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H34N2O/c42-39(32-24-28-38(29-25-32)41(35-17-9-3-10-18-35)36-19-11-4-12-20-36)30-23-31-21-26-37(27-22-31)40(33-13-5-1-6-14-33)34-15-7-2-8-16-34/h1-22,24-29,39,42H,23,30H2.
What are the key properties of 1,3-bis[4-(N-phenylanilino)phenyl]propan-1-ol?
1,3-bis[4-(N-phenylanilino)phenyl]propan-1-ol has a molecular weight of 546.71 g/mol, XLogP of 10.29, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[4-(N-phenylanilino)phenyl]propan-1-ol is sourced from PubChem (CID 23561857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).