3-[4-(1,2,2-triphenylethenyl)phenyl]benzonitrile

C33H23N — CID 139203949

IUPAC3-[4-(1,2,2-triphenylethenyl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2ccc(C(=C(c3ccccc3)c3ccccc3)c3ccccc3)cc2)c1
InChIInChI=1S/C33H23N/c34-24-25-11-10-18-31(23-25)26-19-21-30(22-20-26)33(29-16-8-3-9-17-29)32(27-12-4-1-5-13-27)28-14-6-2-7-15-28/h1-23H
InChIKeyHMROXKAVXXXBQN-UHFFFAOYSA-N
MW433.55 g/mol
LogP8.23
Rot. Bonds5

About 3-[4-(1,2,2-triphenylethenyl)phenyl]benzonitrile

3-[4-(1,2,2-triphenylethenyl)phenyl]benzonitrile (PubChem CID 139203949) has the molecular formula C33H23N and a molecular weight of 433.55 g/mol. Its IUPAC name is 3-[4-(1,2,2-triphenylethenyl)phenyl]benzonitrile.

Molecular Properties

Compound Name3-[4-(1,2,2-triphenylethenyl)phenyl]benzonitrile
PubChem CID139203949
Molecular FormulaC33H23N
Molecular Weight433.55 g/mol
Exact Mass433.18
IUPAC Name3-[4-(1,2,2-triphenylethenyl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2ccc(C(=C(c3ccccc3)c3ccccc3)c3ccccc3)cc2)c1
InChIInChI=1S/C33H23N/c34-24-25-11-10-18-31(23-25)26-19-21-30(22-20-26)33(29-16-8-3-9-17-29)32(27-12-4-1-5-13-27)28-14-6-2-7-15-28/h1-23H
InChIKeyHMROXKAVXXXBQN-UHFFFAOYSA-N
XLogP8.23
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.55
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]benzonitrile
CID 138548266
4-(3-cyanophenyl)benzenecarboximidamide
CID 6345365
3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 134317879
4-[10-[4-(1,2,2-triphenylethenyl)phenyl]anthracen-9-yl]benzonitrile
CID 138552651
(E)-2,3-bis[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]but-2-enedinitrile
CID 102194233
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 176848065
3-[3-[4-phenyl-6-[2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 174364340
3-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 134317940
ethyl 4-(3-cyanophenyl)benzoate
CID 71764677
3-[3-[4-chloro-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774596
3-[4-(2-aminobenzenecarboximidoyl)phenyl]benzonitrile
CID 118682362
3-(3-cyanophenyl)-5-[4-(4,6-diphenyl-1,3,5-triazin-5-ium-2-yl)phenyl]benzonitrile
CID 145448423

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,2,2-triphenylethenyl)phenyl]benzonitrile?
The IUPAC name of 3-[4-(1,2,2-triphenylethenyl)phenyl]benzonitrile (CID 139203949) is 3-[4-(1,2,2-triphenylethenyl)phenyl]benzonitrile.
What is the SMILES notation for 3-[4-(1,2,2-triphenylethenyl)phenyl]benzonitrile?
The canonical SMILES for 3-[4-(1,2,2-triphenylethenyl)phenyl]benzonitrile is N#Cc1cccc(-c2ccc(C(=C(c3ccccc3)c3ccccc3)c3ccccc3)cc2)c1.
What is the InChIKey of 3-[4-(1,2,2-triphenylethenyl)phenyl]benzonitrile?
The InChIKey is HMROXKAVXXXBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N/c34-24-25-11-10-18-31(23-25)26-19-21-30(22-20-26)33(29-16-8-3-9-17-29)32(27-12-4-1-5-13-27)28-14-6-2-7-15-28/h1-23H.
What are the key properties of 3-[4-(1,2,2-triphenylethenyl)phenyl]benzonitrile?
3-[4-(1,2,2-triphenylethenyl)phenyl]benzonitrile has a molecular weight of 433.55 g/mol, XLogP of 8.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,2,2-triphenylethenyl)phenyl]benzonitrile is sourced from PubChem (CID 139203949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).