[3-(2,3-dimethylcycloprop-2-en-1-ylidene)-2,4,5-triphenylcyclopenta-1,4-dien-1-yl]benzene

C34H26 — CID 134982443

IUPAC[3-(2,3-dimethylcycloprop-2-en-1-ylidene)-2,4,5-triphenylcyclopenta-1,4-dien-1-yl]benzene
SMILESCC1=C(C)C1=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C34H26/c1-23-24(2)29(23)34-32(27-19-11-5-12-20-27)30(25-15-7-3-8-16-25)31(26-17-9-4-10-18-26)33(34)28-21-13-6-14-22-28/h3-22H,1-2H3
InChIKeyIRIOORIZTPJCTF-UHFFFAOYSA-N
MW434.58 g/mol
LogP8.87
Rot. Bonds4

About [3-(2,3-dimethylcycloprop-2-en-1-ylidene)-2,4,5-triphenylcyclopenta-1,4-dien-1-yl]benzene

[3-(2,3-dimethylcycloprop-2-en-1-ylidene)-2,4,5-triphenylcyclopenta-1,4-dien-1-yl]benzene (PubChem CID 134982443) has the molecular formula C34H26 and a molecular weight of 434.58 g/mol. Its IUPAC name is [3-(2,3-dimethylcycloprop-2-en-1-ylidene)-2,4,5-triphenylcyclopenta-1,4-dien-1-yl]benzene.

Molecular Properties

Compound Name[3-(2,3-dimethylcycloprop-2-en-1-ylidene)-2,4,5-triphenylcyclopenta-1,4-dien-1-yl]benzene
PubChem CID134982443
Molecular FormulaC34H26
Molecular Weight434.58 g/mol
Exact Mass434.20
IUPAC Name[3-(2,3-dimethylcycloprop-2-en-1-ylidene)-2,4,5-triphenylcyclopenta-1,4-dien-1-yl]benzene
SMILESCC1=C(C)C1=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C34H26/c1-23-24(2)29(23)34-32(27-19-11-5-12-20-27)30(25-15-7-3-8-16-25)31(26-17-9-4-10-18-26)33(34)28-21-13-6-14-22-28/h3-22H,1-2H3
InChIKeyIRIOORIZTPJCTF-UHFFFAOYSA-N
XLogP8.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 58.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [3-(2,3-dimethylcycloprop-2-en-1-ylidene)-2,4,5-triphenylcyclopenta-1,4-dien-1-yl]benzene with MolForge

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Launch Full Analysis

Related Compounds

Fenbutatin oxide
CID 16683004
Triphenylethylene
CID 6025
Benzyltriphenylphosphonium chloride
CID 70671
Tris(4-methylphenyl)stibine
CID 79371
Benzene, 1,1',1'',1'''-(1,3-butadiene-1,4-diylidene)tetrakis-
CID 74060
Stibene, tri-o-tolyl-
CID 301718
Triphenylmethane
CID 10614
alpha-Methylstyrene dimer
CID 22521
1,4-Diphenylbutane
CID 66182
1,1,1-Triphenylethane
CID 78926
p-Quaterphenyl
CID 8677
Quaterphenyl
CID 14422

Frequently Asked Questions

What is the IUPAC name of [3-(2,3-dimethylcycloprop-2-en-1-ylidene)-2,4,5-triphenylcyclopenta-1,4-dien-1-yl]benzene?
The IUPAC name of [3-(2,3-dimethylcycloprop-2-en-1-ylidene)-2,4,5-triphenylcyclopenta-1,4-dien-1-yl]benzene (CID 134982443) is [3-(2,3-dimethylcycloprop-2-en-1-ylidene)-2,4,5-triphenylcyclopenta-1,4-dien-1-yl]benzene.
What is the SMILES notation for [3-(2,3-dimethylcycloprop-2-en-1-ylidene)-2,4,5-triphenylcyclopenta-1,4-dien-1-yl]benzene?
The canonical SMILES for [3-(2,3-dimethylcycloprop-2-en-1-ylidene)-2,4,5-triphenylcyclopenta-1,4-dien-1-yl]benzene is CC1=C(C)C1=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.
What is the InChIKey of [3-(2,3-dimethylcycloprop-2-en-1-ylidene)-2,4,5-triphenylcyclopenta-1,4-dien-1-yl]benzene?
The InChIKey is IRIOORIZTPJCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26/c1-23-24(2)29(23)34-32(27-19-11-5-12-20-27)30(25-15-7-3-8-16-25)31(26-17-9-4-10-18-26)33(34)28-21-13-6-14-22-28/h3-22H,1-2H3.
What are the key properties of [3-(2,3-dimethylcycloprop-2-en-1-ylidene)-2,4,5-triphenylcyclopenta-1,4-dien-1-yl]benzene?
[3-(2,3-dimethylcycloprop-2-en-1-ylidene)-2,4,5-triphenylcyclopenta-1,4-dien-1-yl]benzene has a molecular weight of 434.58 g/mol, XLogP of 8.87, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3-dimethylcycloprop-2-en-1-ylidene)-2,4,5-triphenylcyclopenta-1,4-dien-1-yl]benzene is sourced from PubChem (CID 134982443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).