2-[5-[2-(2,6-diethylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene

C27H28 — CID 58245995

IUPAC2-[5-[2-(2,6-diethylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene
SMILESC=C(CC1=CCC=C1C1=Cc2ccccc2C1)c1c(CC)cccc1CC
InChIInChI=1S/C27H28/c1-4-20-12-8-13-21(5-2)27(20)19(3)16-24-14-9-15-26(24)25-17-22-10-6-7-11-23(22)18-25/h6-8,10-15,17H,3-5,9,16,18H2,1-2H3
InChIKeyFDVWUGLDHPUKTE-UHFFFAOYSA-N
MW352.52 g/mol
LogP7.11
Rot. Bonds6

About 2-[5-[2-(2,6-diethylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene

2-[5-[2-(2,6-diethylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene (PubChem CID 58245995) has the molecular formula C27H28 and a molecular weight of 352.52 g/mol. Its IUPAC name is 2-[5-[2-(2,6-diethylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene.

Molecular Properties

Compound Name2-[5-[2-(2,6-diethylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene
PubChem CID58245995
Molecular FormulaC27H28
Molecular Weight352.52 g/mol
Exact Mass352.22
IUPAC Name2-[5-[2-(2,6-diethylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene
SMILESC=C(CC1=CCC=C1C1=Cc2ccccc2C1)c1c(CC)cccc1CC
InChIInChI=1S/C27H28/c1-4-20-12-8-13-21(5-2)27(20)19(3)16-24-14-9-15-26(24)25-17-22-10-6-7-11-23(22)18-25/h6-8,10-15,17H,3-5,9,16,18H2,1-2H3
InChIKeyFDVWUGLDHPUKTE-UHFFFAOYSA-N
XLogP7.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-[5-[2-(2,6-diethylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-[2-(2,3-dimethylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene
CID 58246100
2-[5-[2-(5-ethyl-2-methylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene
CID 58246104
2-[5-[2-(2-methylcyclopenta-1,3-dien-1-yl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene
CID 58246078
2-[5-[2-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-5-(cyclohexylmethyl)-1H-indene
CID 58245998
1-ethyl-4-(1H-inden-2-yl)naphthalene
CID 22347915
4-[3-[5-[5-(cyclohexylmethyl)-1H-inden-2-yl]cyclopenta-1,4-dien-1-yl]prop-1-en-2-yl]-1-methylidene-2H-naphthalene
CID 58246120
5-(cyclohexylmethyl)-2-[5-(2-methylidene-3-phenylbut-3-enyl)cyclopenta-1,4-dien-1-yl]-1H-indene
CID 58245893
2-[5-[2-(5-tert-butyl-2-methylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-5-(cyclohexylmethyl)-1H-indene
CID 58245963
2-[3-(1H-inden-2-yl)phenyl]-1H-indene
CID 159714267
1-(2,6-diethylphenyl)ethanone
CID 14939611
3-(1H-inden-2-yl)-N,N-dimethylaniline
CID 86066545
ethyl 1H-indene-2-carboxylate
CID 15378309

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(2,6-diethylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene?
The IUPAC name of 2-[5-[2-(2,6-diethylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene (CID 58245995) is 2-[5-[2-(2,6-diethylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene.
What is the SMILES notation for 2-[5-[2-(2,6-diethylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene?
The canonical SMILES for 2-[5-[2-(2,6-diethylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene is C=C(CC1=CCC=C1C1=Cc2ccccc2C1)c1c(CC)cccc1CC.
What is the InChIKey of 2-[5-[2-(2,6-diethylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene?
The InChIKey is FDVWUGLDHPUKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28/c1-4-20-12-8-13-21(5-2)27(20)19(3)16-24-14-9-15-26(24)25-17-22-10-6-7-11-23(22)18-25/h6-8,10-15,17H,3-5,9,16,18H2,1-2H3.
What are the key properties of 2-[5-[2-(2,6-diethylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene?
2-[5-[2-(2,6-diethylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene has a molecular weight of 352.52 g/mol, XLogP of 7.11, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(2,6-diethylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene is sourced from PubChem (CID 58245995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).