(3-benzyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene

C24H20 — CID 101419831

IUPAC(3-benzyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene
SMILESC1=C(c2ccccc2)C(c2ccccc2)=CC1Cc1ccccc1
InChIInChI=1S/C24H20/c1-4-10-19(11-5-1)16-20-17-23(21-12-6-2-7-13-21)24(18-20)22-14-8-3-9-15-22/h1-15,17-18,20H,16H2
InChIKeyVWKMCBDFDROLKT-UHFFFAOYSA-N
MW308.42 g/mol
LogP6.03
Rot. Bonds4

About (3-benzyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene

(3-benzyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene (PubChem CID 101419831) has the molecular formula C24H20 and a molecular weight of 308.42 g/mol. Its IUPAC name is (3-benzyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene.

Molecular Properties

Compound Name(3-benzyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene
PubChem CID101419831
Molecular FormulaC24H20
Molecular Weight308.42 g/mol
Exact Mass308.16
IUPAC Name(3-benzyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene
SMILESC1=C(c2ccccc2)C(c2ccccc2)=CC1Cc1ccccc1
InChIInChI=1S/C24H20/c1-4-10-19(11-5-1)16-20-17-23(21-12-6-2-7-13-21)24(18-20)22-14-8-3-9-15-22/h1-15,17-18,20H,16H2
InChIKeyVWKMCBDFDROLKT-UHFFFAOYSA-N
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 18398670
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(2S)-2-benzyl-2H-azirine
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(3-bromocyclopent-2-en-1-yl)methylbenzene
CID 15701429
(2,3,4-trimethylcyclobutyl)methylbenzene
CID 90929124
2,5-dibenzyl-2,5-dihydropyrazine
CID 139215264
1,1'-biphenyl;phenylmethanethiol
CID 172707526
benzene;tris(1,1'-biphenyl)
CID 162155747
(2S)-2-benzylazetidine;molecular hydrogen
CID 145023089
(1S,4S)-2,5-dibenzylbicyclo[2.2.1]heptane
CID 101446934
(2R,3R)-2-benzyl-3-methylaziridine
CID 15621251

Frequently Asked Questions

What is the IUPAC name of (3-benzyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene?
The IUPAC name of (3-benzyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene (CID 101419831) is (3-benzyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene.
What is the SMILES notation for (3-benzyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene?
The canonical SMILES for (3-benzyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene is C1=C(c2ccccc2)C(c2ccccc2)=CC1Cc1ccccc1.
What is the InChIKey of (3-benzyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene?
The InChIKey is VWKMCBDFDROLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20/c1-4-10-19(11-5-1)16-20-17-23(21-12-6-2-7-13-21)24(18-20)22-14-8-3-9-15-22/h1-15,17-18,20H,16H2.
What are the key properties of (3-benzyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene?
(3-benzyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene has a molecular weight of 308.42 g/mol, XLogP of 6.03, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene is sourced from PubChem (CID 101419831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).