bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanol

C39H38N2O — CID 15868831

IUPACbis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanol
SMILESCN(C)c1ccc(/C=C/c2ccc(C(O)(c3ccccc3)c3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1
InChIInChI=1S/C39H38N2O/c1-40(2)37-26-18-32(19-27-37)12-10-30-14-22-35(23-15-30)39(42,34-8-6-5-7-9-34)36-24-16-31(17-25-36)11-13-33-20-28-38(29-21-33)41(3)4/h5-29,42H,1-4H3/b12-10+,13-11+
InChIKeyCZXKSGUFAIEGIF-DCIPZJNNSA-N
MW550.75 g/mol
LogP8.44
Rot. Bonds9

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

bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanol (PubChem CID 15868831) has the molecular formula C39H38N2O and a molecular weight of 550.75 g/mol. Its IUPAC name is bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanol.

Molecular Properties

Compound Namebis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanol
PubChem CID15868831
Molecular FormulaC39H38N2O
Molecular Weight550.75 g/mol
Exact Mass550.30
IUPAC Namebis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanol
SMILESCN(C)c1ccc(/C=C/c2ccc(C(O)(c3ccccc3)c3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1
InChIInChI=1S/C39H38N2O/c1-40(2)37-26-18-32(19-27-37)12-10-30-14-22-35(23-15-30)39(42,34-8-6-5-7-9-34)36-24-16-31(17-25-36)11-13-33-20-28-38(29-21-33)41(3)4/h5-29,42H,1-4H3/b12-10+,13-11+
InChIKeyCZXKSGUFAIEGIF-DCIPZJNNSA-N
XLogP8.44
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.75
LogP ≤ 58.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanol?
The IUPAC name of bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanol (CID 15868831) is bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanol.
What is the SMILES notation for bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanol?
The canonical SMILES for bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanol is CN(C)c1ccc(/C=C/c2ccc(C(O)(c3ccccc3)c3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1.
What is the InChIKey of bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanol?
The InChIKey is CZXKSGUFAIEGIF-DCIPZJNNSA-N. The full InChI is InChI=1S/C39H38N2O/c1-40(2)37-26-18-32(19-27-37)12-10-30-14-22-35(23-15-30)39(42,34-8-6-5-7-9-34)36-24-16-31(17-25-36)11-13-33-20-28-38(29-21-33)41(3)4/h5-29,42H,1-4H3/b12-10+,13-11+.
What are the key properties of bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanol?
bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanol has a molecular weight of 550.75 g/mol, XLogP of 8.44, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanol is sourced from PubChem (CID 15868831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).