1-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-4,7-dimethyl-1H-indene

C23H22 — CID 159365400

IUPAC1-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-4,7-dimethyl-1H-indene
SMILESCc1ccc(C)c2c1C=CC2C(c1ccccc1)C1C=CC=C1
InChIInChI=1S/C23H22/c1-16-12-13-17(2)22-20(16)14-15-21(22)23(19-10-6-7-11-19)18-8-4-3-5-9-18/h3-15,19,21,23H,1-2H3
InChIKeyXXHQIQOUBGVQTJ-UHFFFAOYSA-N
MW298.43 g/mol
LogP5.94
Rot. Bonds3

About 1-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-4,7-dimethyl-1H-indene

1-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-4,7-dimethyl-1H-indene (PubChem CID 159365400) has the molecular formula C23H22 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-4,7-dimethyl-1H-indene.

Molecular Properties

Compound Name1-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-4,7-dimethyl-1H-indene
PubChem CID159365400
Molecular FormulaC23H22
Molecular Weight298.43 g/mol
Exact Mass298.17
IUPAC Name1-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-4,7-dimethyl-1H-indene
SMILESCc1ccc(C)c2c1C=CC2C(c1ccccc1)C1C=CC=C1
InChIInChI=1S/C23H22/c1-16-12-13-17(2)22-20(16)14-15-21(22)23(19-10-6-7-11-19)18-8-4-3-5-9-18/h3-15,19,21,23H,1-2H3
InChIKeyXXHQIQOUBGVQTJ-UHFFFAOYSA-N
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S,2S)-2-benzyl-5,8-dimethyl-1,2-dihydronaphthalen-1-ol
CID 135026635
9-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-9H-fluorene
CID 58097745
(2-cyclopenta-2,4-dien-1-yl-2-methyl-1-phenylpropyl)benzene
CID 131720872
(1S,2R,3R,12S,14R,15S)-7,10,17,20-tetramethyl-13,22-dioxahexacyclo[13.6.1.02,14.03,12.06,11.016,21]docosa-4,6,8,10,16,18,20-heptaene
CID 23652357
(2-cyclopenta-2,4-dien-1-yl-2-phenylethyl)-dimethylphosphane
CID 10977286
4,7-dimethyl-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene
CID 175181293
[cyclopenta-2,4-dien-1-yl(phenyl)methyl]sulfanylbenzene
CID 12713629
4,7-dimethyl-1-[(4-methylphenyl)methyl]-1H-indene
CID 141475753
5-benzhydryl-6-methylidenecyclohexa-1,3-diene
CID 154090112
1-benzhydryl-2-methyl-2H-pyridine
CID 100945872
1-cyclopenta-2,4-dien-1-ylbutan-2-ylbenzene
CID 11985593
benzhydryl(diphenyl)borane;bis(tetramethylazanium);dihydroxide
CID 174653384

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-4,7-dimethyl-1H-indene?
The IUPAC name of 1-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-4,7-dimethyl-1H-indene (CID 159365400) is 1-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-4,7-dimethyl-1H-indene.
What is the SMILES notation for 1-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-4,7-dimethyl-1H-indene?
The canonical SMILES for 1-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-4,7-dimethyl-1H-indene is Cc1ccc(C)c2c1C=CC2C(c1ccccc1)C1C=CC=C1.
What is the InChIKey of 1-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-4,7-dimethyl-1H-indene?
The InChIKey is XXHQIQOUBGVQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22/c1-16-12-13-17(2)22-20(16)14-15-21(22)23(19-10-6-7-11-19)18-8-4-3-5-9-18/h3-15,19,21,23H,1-2H3.
What are the key properties of 1-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-4,7-dimethyl-1H-indene?
1-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-4,7-dimethyl-1H-indene has a molecular weight of 298.43 g/mol, XLogP of 5.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-4,7-dimethyl-1H-indene is sourced from PubChem (CID 159365400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).