4-[2,2-bis[4-(dimethylamino)phenyl]-1-phenylethenyl]benzaldehyde

C31H30N2O — CID 102222128

IUPAC4-[2,2-bis[4-(dimethylamino)phenyl]-1-phenylethenyl]benzaldehyde
SMILESCN(C)c1ccc(C(=C(c2ccccc2)c2ccc(C=O)cc2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C31H30N2O/c1-32(2)28-18-14-26(15-19-28)31(27-16-20-29(21-17-27)33(3)4)30(24-8-6-5-7-9-24)25-12-10-23(22-34)11-13-25/h5-22H,1-4H3
InChIKeyLMIVXAJFXGFRRW-UHFFFAOYSA-N
MW446.59 g/mol
LogP6.64
Rot. Bonds7

About 4-[2,2-bis[4-(dimethylamino)phenyl]-1-phenylethenyl]benzaldehyde

4-[2,2-bis[4-(dimethylamino)phenyl]-1-phenylethenyl]benzaldehyde (PubChem CID 102222128) has the molecular formula C31H30N2O and a molecular weight of 446.59 g/mol. Its IUPAC name is 4-[2,2-bis[4-(dimethylamino)phenyl]-1-phenylethenyl]benzaldehyde.

Molecular Properties

Compound Name4-[2,2-bis[4-(dimethylamino)phenyl]-1-phenylethenyl]benzaldehyde
PubChem CID102222128
Molecular FormulaC31H30N2O
Molecular Weight446.59 g/mol
Exact Mass446.24
IUPAC Name4-[2,2-bis[4-(dimethylamino)phenyl]-1-phenylethenyl]benzaldehyde
SMILESCN(C)c1ccc(C(=C(c2ccccc2)c2ccc(C=O)cc2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C31H30N2O/c1-32(2)28-18-14-26(15-19-28)31(27-16-20-29(21-17-27)33(3)4)30(24-8-6-5-7-9-24)25-12-10-23(22-34)11-13-25/h5-22H,1-4H3
InChIKeyLMIVXAJFXGFRRW-UHFFFAOYSA-N
XLogP6.64
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.59
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylamino)benzaldehyde;4-phenylbenzaldehyde
CID 19981020
2-[[4-[2,2-bis[4-(dimethylamino)phenyl]-1-phenylethenyl]phenyl]methylidene]propanedinitrile
CID 118474785
[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanone
CID 132506208
4-[(E)-2-(4-formylphenyl)-2-(4-methoxyphenyl)-1-phenylethenyl]benzaldehyde
CID 102406735
[4-(dimethylamino)phenyl]-phenylmethanone
CID 10737
CID 102282703
CID 102282703
N,N-dimethyl-4-[(E)-1-phenylprop-1-enyl]aniline
CID 5382979
N,N-dimethyl-4-[(Z)-3-phenylbut-2-en-2-yl]aniline
CID 21335817
1,5-bis[4-(dimethylamino)phenyl]-2,4-diphenylpenta-1,4-dien-3-one
CID 66673921
4-[(Z)-2-fluoro-3,3-dimethyl-1-phenylbut-1-enyl]benzaldehyde
CID 102283084
(Z)-3-amino-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one
CID 102206203
1-[4-(dimethylamino)phenyl]-2-phenylethane-1,2-dithione
CID 14817511

Frequently Asked Questions

What is the IUPAC name of 4-[2,2-bis[4-(dimethylamino)phenyl]-1-phenylethenyl]benzaldehyde?
The IUPAC name of 4-[2,2-bis[4-(dimethylamino)phenyl]-1-phenylethenyl]benzaldehyde (CID 102222128) is 4-[2,2-bis[4-(dimethylamino)phenyl]-1-phenylethenyl]benzaldehyde.
What is the SMILES notation for 4-[2,2-bis[4-(dimethylamino)phenyl]-1-phenylethenyl]benzaldehyde?
The canonical SMILES for 4-[2,2-bis[4-(dimethylamino)phenyl]-1-phenylethenyl]benzaldehyde is CN(C)c1ccc(C(=C(c2ccccc2)c2ccc(C=O)cc2)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-[2,2-bis[4-(dimethylamino)phenyl]-1-phenylethenyl]benzaldehyde?
The InChIKey is LMIVXAJFXGFRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O/c1-32(2)28-18-14-26(15-19-28)31(27-16-20-29(21-17-27)33(3)4)30(24-8-6-5-7-9-24)25-12-10-23(22-34)11-13-25/h5-22H,1-4H3.
What are the key properties of 4-[2,2-bis[4-(dimethylamino)phenyl]-1-phenylethenyl]benzaldehyde?
4-[2,2-bis[4-(dimethylamino)phenyl]-1-phenylethenyl]benzaldehyde has a molecular weight of 446.59 g/mol, XLogP of 6.64, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-bis[4-(dimethylamino)phenyl]-1-phenylethenyl]benzaldehyde is sourced from PubChem (CID 102222128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).