5-[5-methyl-4-(3-methylidene-5-phenylpentyl)cyclopenta-1,3-dien-1-yl]-2H-indene

C27H28 — CID 58673990

IUPAC5-[5-methyl-4-(3-methylidene-5-phenylpentyl)cyclopenta-1,3-dien-1-yl]-2H-indene
SMILESC=C(CCC1=CC=C(c2ccc3c(c2)=CCC=3)C1C)CCc1ccccc1
InChIInChI=1S/C27H28/c1-20(11-13-22-7-4-3-5-8-22)12-14-23-17-18-27(21(23)2)26-16-15-24-9-6-10-25(24)19-26/h3-5,7-10,15-19,21H,1,6,11-14H2,2H3
InChIKeySCUCZGWQFAOVCO-UHFFFAOYSA-N
MW352.52 g/mol
LogP5.58
Rot. Bonds7

About 5-[5-methyl-4-(3-methylidene-5-phenylpentyl)cyclopenta-1,3-dien-1-yl]-2H-indene

5-[5-methyl-4-(3-methylidene-5-phenylpentyl)cyclopenta-1,3-dien-1-yl]-2H-indene (PubChem CID 58673990) has the molecular formula C27H28 and a molecular weight of 352.52 g/mol. Its IUPAC name is 5-[5-methyl-4-(3-methylidene-5-phenylpentyl)cyclopenta-1,3-dien-1-yl]-2H-indene.

Molecular Properties

Compound Name5-[5-methyl-4-(3-methylidene-5-phenylpentyl)cyclopenta-1,3-dien-1-yl]-2H-indene
PubChem CID58673990
Molecular FormulaC27H28
Molecular Weight352.52 g/mol
Exact Mass352.22
IUPAC Name5-[5-methyl-4-(3-methylidene-5-phenylpentyl)cyclopenta-1,3-dien-1-yl]-2H-indene
SMILESC=C(CCC1=CC=C(c2ccc3c(c2)=CCC=3)C1C)CCc1ccccc1
InChIInChI=1S/C27H28/c1-20(11-13-22-7-4-3-5-8-22)12-14-23-17-18-27(21(23)2)26-16-15-24-9-6-10-25(24)19-26/h3-5,7-10,15-19,21H,1,6,11-14H2,2H3
InChIKeySCUCZGWQFAOVCO-UHFFFAOYSA-N
XLogP5.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-(5-methyl-4-phenylcyclopenta-1,3-dien-1-yl)-1-phenylbutan-2-one
CID 130257789
1-(4-methylphenyl)-4-(5-methyl-4-phenylcyclopenta-1,3-dien-1-yl)butan-2-one
CID 130257761
2-(5-benzyl-4-phenylcyclopenta-1,3-dien-1-yl)ethylbenzene
CID 140800431
1-[2-methoxy-5-(2-oxopropyl)phenyl]-4-(5-methyl-4-phenylcyclopenta-1,3-dien-1-yl)butan-2-one
CID 130257768
2-(2-methylidene-4-phenylbutoxy)oxane
CID 86001164
4-methylidene-6-phenylhexan-3-one
CID 13485260
2-(4-phenylbut-1-en-2-yl)thiirane
CID 121008176
3-methylbut-3-enyl 3-phenylpropan(18O)oate
CID 11345035
1-(3-methylbut-3-enyl)-3-phenylbenzene
CID 143843043
ethane;N-methyl-4-phenylbut-1-en-2-amine
CID 143280576
[methyl-(4-methylidene-6-phenylhexanoyl)amino] 2,3,4,5,6-pentafluorobenzoate
CID 165415849
lanthanum;3-phenylpropanoic acid
CID 174887955

Frequently Asked Questions

What is the IUPAC name of 5-[5-methyl-4-(3-methylidene-5-phenylpentyl)cyclopenta-1,3-dien-1-yl]-2H-indene?
The IUPAC name of 5-[5-methyl-4-(3-methylidene-5-phenylpentyl)cyclopenta-1,3-dien-1-yl]-2H-indene (CID 58673990) is 5-[5-methyl-4-(3-methylidene-5-phenylpentyl)cyclopenta-1,3-dien-1-yl]-2H-indene.
What is the SMILES notation for 5-[5-methyl-4-(3-methylidene-5-phenylpentyl)cyclopenta-1,3-dien-1-yl]-2H-indene?
The canonical SMILES for 5-[5-methyl-4-(3-methylidene-5-phenylpentyl)cyclopenta-1,3-dien-1-yl]-2H-indene is C=C(CCC1=CC=C(c2ccc3c(c2)=CCC=3)C1C)CCc1ccccc1.
What is the InChIKey of 5-[5-methyl-4-(3-methylidene-5-phenylpentyl)cyclopenta-1,3-dien-1-yl]-2H-indene?
The InChIKey is SCUCZGWQFAOVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28/c1-20(11-13-22-7-4-3-5-8-22)12-14-23-17-18-27(21(23)2)26-16-15-24-9-6-10-25(24)19-26/h3-5,7-10,15-19,21H,1,6,11-14H2,2H3.
What are the key properties of 5-[5-methyl-4-(3-methylidene-5-phenylpentyl)cyclopenta-1,3-dien-1-yl]-2H-indene?
5-[5-methyl-4-(3-methylidene-5-phenylpentyl)cyclopenta-1,3-dien-1-yl]-2H-indene has a molecular weight of 352.52 g/mol, XLogP of 5.58, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-methyl-4-(3-methylidene-5-phenylpentyl)cyclopenta-1,3-dien-1-yl]-2H-indene is sourced from PubChem (CID 58673990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).