1-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)benzene

C21H22 — CID 141312079

IUPAC1-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)benzene
SMILESCC1=C(C)C(C)C(C)=C1c1ccccc1-c1ccccc1
InChIInChI=1S/C21H22/c1-14-15(2)17(4)21(16(14)3)20-13-9-8-12-19(20)18-10-6-5-7-11-18/h5-14H,1-4H3
InChIKeyXGTDKJHWMFWEFC-UHFFFAOYSA-N
MW274.41 g/mol
LogP6.11
Rot. Bonds2

About 1-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)benzene

1-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)benzene (PubChem CID 141312079) has the molecular formula C21H22 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)benzene.

Molecular Properties

Compound Name1-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)benzene
PubChem CID141312079
Molecular FormulaC21H22
Molecular Weight274.41 g/mol
Exact Mass274.17
IUPAC Name1-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)benzene
SMILESCC1=C(C)C(C)C(C)=C1c1ccccc1-c1ccccc1
InChIInChI=1S/C21H22/c1-14-15(2)17(4)21(16(14)3)20-13-9-8-12-19(20)18-10-6-5-7-11-18/h5-14H,1-4H3
InChIKeyXGTDKJHWMFWEFC-UHFFFAOYSA-N
XLogP6.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.41
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-chloro-1-methyl-3-phenyl-1H-indene
CID 13149961
1-methyl-2-[4-(2-phenylphenyl)phenyl]benzene
CID 58390061
tris(5-methyl-2-phenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123565851
methane;1-phenyl-2-(2-phenylphenyl)benzene
CID 144789864
2-methyl-1-phenyl-4-(2-phenylphenyl)benzene
CID 59171665
4-methyl-1-phenyl-2-(2-phenylphenyl)benzene
CID 59171641
3-(4-chlorophenyl)-1,2-dimethyl-1H-indene
CID 86117388
1-methyl-4,8-diphenylazulene
CID 86056773
2-methyl-3-phenylinden-1-one
CID 2750462
CID 69011285
CID 69011285
4-(2-methylphenyl)-1,2-diphenylbenzene
CID 59171693
4-(3-methylphenyl)-1,2-diphenylbenzene
CID 59171658

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)benzene?
The IUPAC name of 1-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)benzene (CID 141312079) is 1-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)benzene.
What is the SMILES notation for 1-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)benzene?
The canonical SMILES for 1-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)benzene is CC1=C(C)C(C)C(C)=C1c1ccccc1-c1ccccc1.
What is the InChIKey of 1-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)benzene?
The InChIKey is XGTDKJHWMFWEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22/c1-14-15(2)17(4)21(16(14)3)20-13-9-8-12-19(20)18-10-6-5-7-11-18/h5-14H,1-4H3.
What are the key properties of 1-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)benzene?
1-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)benzene has a molecular weight of 274.41 g/mol, XLogP of 6.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)benzene is sourced from PubChem (CID 141312079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).