2-[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzamide

C33H25NO — CID 174694661

IUPAC2-[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzamide
SMILESNC(=O)c1ccccc1-c1ccc(-c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C33H25NO/c34-33(35)31-14-8-7-13-30(31)29-21-19-26(20-22-29)25-17-15-24(16-18-25)23-32(27-9-3-1-4-10-27)28-11-5-2-6-12-28/h1-23H,(H2,34,35)
InChIKeyULCIRKPCXMCMJV-UHFFFAOYSA-N
MW451.57 g/mol
LogP7.71
Rot. Bonds6

About 2-[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzamide

2-[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzamide (PubChem CID 174694661) has the molecular formula C33H25NO and a molecular weight of 451.57 g/mol. Its IUPAC name is 2-[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzamide.

Molecular Properties

Compound Name2-[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzamide
PubChem CID174694661
Molecular FormulaC33H25NO
Molecular Weight451.57 g/mol
Exact Mass451.19
IUPAC Name2-[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzamide
SMILESNC(=O)c1ccccc1-c1ccc(-c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C33H25NO/c34-33(35)31-14-8-7-13-30(31)29-21-19-26(20-22-29)25-17-15-24(16-18-25)23-32(27-9-3-1-4-10-27)28-11-5-2-6-12-28/h1-23H,(H2,34,35)
InChIKeyULCIRKPCXMCMJV-UHFFFAOYSA-N
XLogP7.71
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 57.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

benzoic acid;2-phenylbenzamide
CID 70205361
1-(2,2-diphenylethenyl)-4-[2-[4-[4-[2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]phenyl]phenyl]ethenyl]benzene
CID 59965271
1-[(Z)-1,2-diphenylethenyl]-4-[4-[(Z)-1,2-diphenylethenyl]phenyl]benzene
CID 173002469
1-(1,2-diphenylethenyl)-4-phenylbenzene
CID 54005685
2-(4-sulfanylphenyl)benzamide
CID 123865204
1,4-bis[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzene;methane;tris(1-phenylprop-1-enylbenzene)
CID 158090471
2-(4-bromophenyl)benzamide
CID 15982087
2-(4-anilinophenyl)benzamide
CID 174939572
[4-(2,2-diphenylethenyl)phenyl]-(2-hydroxyphenyl)methanone
CID 67415935
2-phenylbenzamide;2,2,2-trifluoroacetic acid
CID 67160180
2-(4-carbamimidoylphenyl)benzamide
CID 90947918
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]benzene
CID 20678091

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzamide?
The IUPAC name of 2-[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzamide (CID 174694661) is 2-[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzamide.
What is the SMILES notation for 2-[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzamide?
The canonical SMILES for 2-[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzamide is NC(=O)c1ccccc1-c1ccc(-c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 2-[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzamide?
The InChIKey is ULCIRKPCXMCMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25NO/c34-33(35)31-14-8-7-13-30(31)29-21-19-26(20-22-29)25-17-15-24(16-18-25)23-32(27-9-3-1-4-10-27)28-11-5-2-6-12-28/h1-23H,(H2,34,35).
What are the key properties of 2-[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzamide?
2-[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzamide has a molecular weight of 451.57 g/mol, XLogP of 7.71, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzamide is sourced from PubChem (CID 174694661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).