(2,4-diethyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene

C21H22 — CID 139667552

IUPAC(2,4-diethyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene
SMILESCCC1=C(c2ccccc2)C(c2ccccc2)=C(CC)C1
InChIInChI=1S/C21H22/c1-3-16-15-17(4-2)21(19-13-9-6-10-14-19)20(16)18-11-7-5-8-12-18/h5-14H,3-4,15H2,1-2H3
InChIKeyADFANEVNVMFXCQ-UHFFFAOYSA-N
MW274.41 g/mol
LogP6.12
Rot. Bonds4

About (2,4-diethyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene

(2,4-diethyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene (PubChem CID 139667552) has the molecular formula C21H22 and a molecular weight of 274.41 g/mol. Its IUPAC name is (2,4-diethyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene.

Molecular Properties

Compound Name(2,4-diethyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene
PubChem CID139667552
Molecular FormulaC21H22
Molecular Weight274.41 g/mol
Exact Mass274.17
IUPAC Name(2,4-diethyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene
SMILESCCC1=C(c2ccccc2)C(c2ccccc2)=C(CC)C1
InChIInChI=1S/C21H22/c1-3-16-15-17(4-2)21(19-13-9-6-10-14-19)20(16)18-11-7-5-8-12-18/h5-14H,3-4,15H2,1-2H3
InChIKeyADFANEVNVMFXCQ-UHFFFAOYSA-N
XLogP6.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.41
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2-ethyl-4,5-diphenylcyclopenta-1,4-dien-1-yl)benzene
CID 139667466
(2-ethyl-4-methyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene
CID 139667594
[(1Z,3E)-4-ethyl-2,3-diphenylcycloocta-1,3-dien-1-yl] formate
CID 175047118
2-ethyl-3-[(2-ethyl-4-phenyl-3H-inden-1-yl)methyl]-7-phenyl-1H-indene
CID 22117997
6-ethyl-4-phenyl-1,5-dihydropentalene
CID 15636400
azane;1,1'-biphenyl;butane
CID 155168826
1,1'-biphenyl;methanol;propane
CID 91033003
1,1-diethyl-2,3,4,5-tetraphenylgermole
CID 12724683
2,5-bis(4-ethylphenyl)-3,4-diphenylcyclopenta-2,4-dien-1-one
CID 13263066
6-ethyl-2,2-dimethyl-5-phenyl-1,3-dioxin-4-one
CID 19918947
(2-ethyl-4,4-dimethylcyclohexen-1-yl)benzene
CID 59224827
1,2-diethyl-3,4,5,6-tetraphenylbenzene
CID 58012801

Frequently Asked Questions

What is the IUPAC name of (2,4-diethyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene?
The IUPAC name of (2,4-diethyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene (CID 139667552) is (2,4-diethyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene.
What is the SMILES notation for (2,4-diethyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene?
The canonical SMILES for (2,4-diethyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene is CCC1=C(c2ccccc2)C(c2ccccc2)=C(CC)C1.
What is the InChIKey of (2,4-diethyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene?
The InChIKey is ADFANEVNVMFXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22/c1-3-16-15-17(4-2)21(19-13-9-6-10-14-19)20(16)18-11-7-5-8-12-18/h5-14H,3-4,15H2,1-2H3.
What are the key properties of (2,4-diethyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene?
(2,4-diethyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene has a molecular weight of 274.41 g/mol, XLogP of 6.12, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-diethyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene is sourced from PubChem (CID 139667552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).