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

C34H28 — CID 134888097

IUPAC[3-(2,3-dimethylcycloprop-2-en-1-yl)-2,4,5-triphenylcyclopenta-1,4-dien-1-yl]benzene
SMILESCC1=C(C)C1C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C34H28/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/h3-22,29,34H,1-2H3
InChIKeyFHKJQSBHDXWLOM-UHFFFAOYSA-N
MW436.60 g/mol
LogP8.80
Rot. Bonds5

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

[3-(2,3-dimethylcycloprop-2-en-1-yl)-2,4,5-triphenylcyclopenta-1,4-dien-1-yl]benzene (PubChem CID 134888097) has the molecular formula C34H28 and a molecular weight of 436.60 g/mol. Its IUPAC name is [3-(2,3-dimethylcycloprop-2-en-1-yl)-2,4,5-triphenylcyclopenta-1,4-dien-1-yl]benzene.

Molecular Properties

Compound Name[3-(2,3-dimethylcycloprop-2-en-1-yl)-2,4,5-triphenylcyclopenta-1,4-dien-1-yl]benzene
PubChem CID134888097
Molecular FormulaC34H28
Molecular Weight436.60 g/mol
Exact Mass436.22
IUPAC Name[3-(2,3-dimethylcycloprop-2-en-1-yl)-2,4,5-triphenylcyclopenta-1,4-dien-1-yl]benzene
SMILESCC1=C(C)C1C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C34H28/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/h3-22,29,34H,1-2H3
InChIKeyFHKJQSBHDXWLOM-UHFFFAOYSA-N
XLogP8.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 58.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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

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Related Compounds

(4S)-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one
CID 142808769
diethyl (1R,2S)-3,4,5,6-tetraphenylcyclohexa-3,5-diene-1,2-dicarboxylate
CID 92844906
(2-methyl-3-phenylcycloprop-2-en-1-yl)methanol
CID 71325924
methoxy-diphenyl-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)silane
CID 102274774
(1R,2S,6S,7R)-4,5,8,9-tetraphenyltricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione
CID 98174899
7-methyl-8-phenyltricyclo[4.2.2.02,5]dec-7-ene
CID 15904382
2,3-diphenyl-4,5-dipropylcyclopent-2-en-1-one
CID 71372881
benzene;1,1'-biphenyl;ethane
CID 158550617
2,3,4,5-tetraphenyl-N-propan-2-ylcyclopenta-1,3-dien-1-amine
CID 71310658
ethane;1,1,2,5-tetramethyl-3,4-diphenylsilole
CID 163897080
CID 24862664
CID 24862664
1,1'-biphenyl;toluene
CID 18366440

Frequently Asked Questions

What is the IUPAC name of [3-(2,3-dimethylcycloprop-2-en-1-yl)-2,4,5-triphenylcyclopenta-1,4-dien-1-yl]benzene?
The IUPAC name of [3-(2,3-dimethylcycloprop-2-en-1-yl)-2,4,5-triphenylcyclopenta-1,4-dien-1-yl]benzene (CID 134888097) is [3-(2,3-dimethylcycloprop-2-en-1-yl)-2,4,5-triphenylcyclopenta-1,4-dien-1-yl]benzene.
What is the SMILES notation for [3-(2,3-dimethylcycloprop-2-en-1-yl)-2,4,5-triphenylcyclopenta-1,4-dien-1-yl]benzene?
The canonical SMILES for [3-(2,3-dimethylcycloprop-2-en-1-yl)-2,4,5-triphenylcyclopenta-1,4-dien-1-yl]benzene is CC1=C(C)C1C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.
What is the InChIKey of [3-(2,3-dimethylcycloprop-2-en-1-yl)-2,4,5-triphenylcyclopenta-1,4-dien-1-yl]benzene?
The InChIKey is FHKJQSBHDXWLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28/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/h3-22,29,34H,1-2H3.
What are the key properties of [3-(2,3-dimethylcycloprop-2-en-1-yl)-2,4,5-triphenylcyclopenta-1,4-dien-1-yl]benzene?
[3-(2,3-dimethylcycloprop-2-en-1-yl)-2,4,5-triphenylcyclopenta-1,4-dien-1-yl]benzene has a molecular weight of 436.60 g/mol, XLogP of 8.80, 5 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-yl)-2,4,5-triphenylcyclopenta-1,4-dien-1-yl]benzene is sourced from PubChem (CID 134888097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).