[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-diphenylmethanol

C29H27NO — CID 11036914

IUPAC[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-diphenylmethanol
SMILESCN(C)c1ccc(/C=C/c2ccc(C(O)(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C29H27NO/c1-30(2)28-21-17-24(18-22-28)14-13-23-15-19-27(20-16-23)29(31,25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-22,31H,1-2H3/b14-13+
InChIKeyDRJMJVVPYZBGFI-BUHFOSPRSA-N
MW405.54 g/mol
LogP6.21
Rot. Bonds6

About [4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-diphenylmethanol

[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-diphenylmethanol (PubChem CID 11036914) has the molecular formula C29H27NO and a molecular weight of 405.54 g/mol. Its IUPAC name is [4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-diphenylmethanol.

Molecular Properties

Compound Name[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-diphenylmethanol
PubChem CID11036914
Molecular FormulaC29H27NO
Molecular Weight405.54 g/mol
Exact Mass405.21
IUPAC Name[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-diphenylmethanol
SMILESCN(C)c1ccc(/C=C/c2ccc(C(O)(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C29H27NO/c1-30(2)28-21-17-24(18-22-28)14-13-23-15-19-27(20-16-23)29(31,25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-22,31H,1-2H3/b14-13+
InChIKeyDRJMJVVPYZBGFI-BUHFOSPRSA-N
XLogP6.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.54
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanol
CID 15868831
N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209
[4-[bis(trimethylsilyl)amino]phenyl]-[4-(dimethylamino)phenyl]-phenylmethanol
CID 11340199
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
N,N-dimethyl-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]aniline
CID 6015156
bis[4-(dimethylamino)phenyl]-(4-methylphenyl)methanol
CID 3639181
N,N-dimethyl-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]aniline
CID 10875699
[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanone
CID 132506208
[4-(dimethylamino)phenyl]-phenyl-thiophen-2-ylmethanol
CID 14324031
[4-(dimethylamino)phenyl]-[4-(4-methylpiperazin-1-yl)phenyl]-phenylmethanol
CID 10525106
4-N-[4-[(E)-2-[4-[(E)-2-[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-N-[4-(dimethylamino)phenyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 166784252
bis[4-(dimethylamino)phenyl]-(1-methylpyridin-1-ium-4-yl)methanol
CID 66561126

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-diphenylmethanol?
The IUPAC name of [4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-diphenylmethanol (CID 11036914) is [4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-diphenylmethanol.
What is the SMILES notation for [4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-diphenylmethanol?
The canonical SMILES for [4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-diphenylmethanol is CN(C)c1ccc(/C=C/c2ccc(C(O)(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of [4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-diphenylmethanol?
The InChIKey is DRJMJVVPYZBGFI-BUHFOSPRSA-N. The full InChI is InChI=1S/C29H27NO/c1-30(2)28-21-17-24(18-22-28)14-13-23-15-19-27(20-16-23)29(31,25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-22,31H,1-2H3/b14-13+.
What are the key properties of [4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-diphenylmethanol?
[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-diphenylmethanol has a molecular weight of 405.54 g/mol, XLogP of 6.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-diphenylmethanol is sourced from PubChem (CID 11036914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).