(2E)-2-benzylidene-3-methylidene-4-phenyl-1,3a-dihydropentalene

C22H18 — CID 58673225

IUPAC(2E)-2-benzylidene-3-methylidene-4-phenyl-1,3a-dihydropentalene
SMILESC=C1/C(=C/c2ccccc2)CC2=CC=C(c3ccccc3)C12
InChIInChI=1S/C22H18/c1-16-20(14-17-8-4-2-5-9-17)15-19-12-13-21(22(16)19)18-10-6-3-7-11-18/h2-14,22H,1,15H2/b20-14+
InChIKeyWHJXUUFSTTWLMJ-XSFVSMFZSA-N
MW282.39 g/mol
LogP5.67
Rot. Bonds2

About (2E)-2-benzylidene-3-methylidene-4-phenyl-1,3a-dihydropentalene

(2E)-2-benzylidene-3-methylidene-4-phenyl-1,3a-dihydropentalene (PubChem CID 58673225) has the molecular formula C22H18 and a molecular weight of 282.39 g/mol. Its IUPAC name is (2E)-2-benzylidene-3-methylidene-4-phenyl-1,3a-dihydropentalene.

Molecular Properties

Compound Name(2E)-2-benzylidene-3-methylidene-4-phenyl-1,3a-dihydropentalene
PubChem CID58673225
Molecular FormulaC22H18
Molecular Weight282.39 g/mol
Exact Mass282.14
IUPAC Name(2E)-2-benzylidene-3-methylidene-4-phenyl-1,3a-dihydropentalene
SMILESC=C1/C(=C/c2ccccc2)CC2=CC=C(c3ccccc3)C12
InChIInChI=1S/C22H18/c1-16-20(14-17-8-4-2-5-9-17)15-19-12-13-21(22(16)19)18-10-6-3-7-11-18/h2-14,22H,1,15H2/b20-14+
InChIKeyWHJXUUFSTTWLMJ-XSFVSMFZSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.39
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(4Z)-4-benzylidene-3-methylidene-2-phenyloxolane
CID 24975514
(6R)-2,5-diphenylbicyclo[4.1.0]hepta-2,4-diene
CID 145063916
1-[(2-methylcyclohexa-2,4-dien-1-ylidene)methyl]-4-phenylbenzene
CID 141424828
(4Z)-4-benzylidene-3-methyl-2-phenylcyclopent-2-en-1-one
CID 177476257
(4Z)-4-benzylidene-5-phenyl-2,3-dihydropyrrole
CID 71485632
(3Z)-3-benzylidene-5-methyl-1-oxido-2-phenyl-4,5-dihydroazepin-1-ium
CID 134845912
(2Z,5E)-2,5-bis[(4-phenylphenyl)methylidene]cyclopentan-1-one
CID 2313575
(3E,7E)-3,7-dibenzylidenebicyclo[3.3.1]nonane-2,6-dione
CID 15315265
[(E)-[(2E)-2-[(2E)-2-benzylidenecyclopentylidene]cyclopentylidene]methyl]benzene
CID 102353604
2-benzylidenecyclobutan-1-one
CID 73042587
2-(5-benzyl-4-phenylcyclopenta-1,3-dien-1-yl)ethylbenzene
CID 140800431
cis-(1R,2R)-3,4-dibenzylidenecyclohexane-1,2-diamine
CID 141226760

Frequently Asked Questions

What is the IUPAC name of (2E)-2-benzylidene-3-methylidene-4-phenyl-1,3a-dihydropentalene?
The IUPAC name of (2E)-2-benzylidene-3-methylidene-4-phenyl-1,3a-dihydropentalene (CID 58673225) is (2E)-2-benzylidene-3-methylidene-4-phenyl-1,3a-dihydropentalene.
What is the SMILES notation for (2E)-2-benzylidene-3-methylidene-4-phenyl-1,3a-dihydropentalene?
The canonical SMILES for (2E)-2-benzylidene-3-methylidene-4-phenyl-1,3a-dihydropentalene is C=C1/C(=C/c2ccccc2)CC2=CC=C(c3ccccc3)C12.
What is the InChIKey of (2E)-2-benzylidene-3-methylidene-4-phenyl-1,3a-dihydropentalene?
The InChIKey is WHJXUUFSTTWLMJ-XSFVSMFZSA-N. The full InChI is InChI=1S/C22H18/c1-16-20(14-17-8-4-2-5-9-17)15-19-12-13-21(22(16)19)18-10-6-3-7-11-18/h2-14,22H,1,15H2/b20-14+.
What are the key properties of (2E)-2-benzylidene-3-methylidene-4-phenyl-1,3a-dihydropentalene?
(2E)-2-benzylidene-3-methylidene-4-phenyl-1,3a-dihydropentalene has a molecular weight of 282.39 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-benzylidene-3-methylidene-4-phenyl-1,3a-dihydropentalene is sourced from PubChem (CID 58673225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).