1-[cyclopenta-1,3-dien-1-yl-(2-phenylphenyl)methyl]-3-methyl-1H-indene

C28H24 — CID 141168944

IUPAC1-[cyclopenta-1,3-dien-1-yl-(2-phenylphenyl)methyl]-3-methyl-1H-indene
SMILESCC1=CC(C(C2=CC=CC2)c2ccccc2-c2ccccc2)c2ccccc21
InChIInChI=1S/C28H24/c1-20-19-27(25-17-9-7-15-23(20)25)28(22-13-5-6-14-22)26-18-10-8-16-24(26)21-11-3-2-4-12-21/h2-13,15-19,27-28H,14H2,1H3
InChIKeyJDGNQWGMSJCIPH-UHFFFAOYSA-N
MW360.50 g/mol
LogP7.52
Rot. Bonds4

About 1-[cyclopenta-1,3-dien-1-yl-(2-phenylphenyl)methyl]-3-methyl-1H-indene

1-[cyclopenta-1,3-dien-1-yl-(2-phenylphenyl)methyl]-3-methyl-1H-indene (PubChem CID 141168944) has the molecular formula C28H24 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-[cyclopenta-1,3-dien-1-yl-(2-phenylphenyl)methyl]-3-methyl-1H-indene.

Molecular Properties

Compound Name1-[cyclopenta-1,3-dien-1-yl-(2-phenylphenyl)methyl]-3-methyl-1H-indene
PubChem CID141168944
Molecular FormulaC28H24
Molecular Weight360.50 g/mol
Exact Mass360.19
IUPAC Name1-[cyclopenta-1,3-dien-1-yl-(2-phenylphenyl)methyl]-3-methyl-1H-indene
SMILESCC1=CC(C(C2=CC=CC2)c2ccccc2-c2ccccc2)c2ccccc21
InChIInChI=1S/C28H24/c1-20-19-27(25-17-9-7-15-23(20)25)28(22-13-5-6-14-22)26-18-10-8-16-24(26)21-11-3-2-4-12-21/h2-13,15-19,27-28H,14H2,1H3
InChIKeyJDGNQWGMSJCIPH-UHFFFAOYSA-N
XLogP7.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1-phenyl-2-propan-2-ylbenzene
CID 161308506
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tris(1-propan-2-ylcyclopenta-1,3-diene);terbium
CID 174728130
9-(5-cyclopenta-1,3-dien-1-ylhex-1-enyl)-9H-fluorene
CID 90908374
barium(2+);hydride;bis(1-propan-2-ylcyclopenta-1,3-diene)
CID 173388440
1,3-dimethyl-1H-indene;ethane
CID 90859449
CID 18430512
CID 18430512
1-phenyl-4-[2-[1-(2-propylcyclohexyl)ethyl]phenyl]benzene
CID 139711027
(S)-cyclopenta-1,3-dien-1-yl(phenyl)methanamine
CID 12637323
[cyclopenta-1,3-dien-1-yl-(2-cyclopenta-1,3-dien-1-ylphenyl)methyl]-trimethylsilane
CID 18996423
5-methyl-9H-benzo[7]annulene
CID 123648201

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopenta-1,3-dien-1-yl-(2-phenylphenyl)methyl]-3-methyl-1H-indene?
The IUPAC name of 1-[cyclopenta-1,3-dien-1-yl-(2-phenylphenyl)methyl]-3-methyl-1H-indene (CID 141168944) is 1-[cyclopenta-1,3-dien-1-yl-(2-phenylphenyl)methyl]-3-methyl-1H-indene.
What is the SMILES notation for 1-[cyclopenta-1,3-dien-1-yl-(2-phenylphenyl)methyl]-3-methyl-1H-indene?
The canonical SMILES for 1-[cyclopenta-1,3-dien-1-yl-(2-phenylphenyl)methyl]-3-methyl-1H-indene is CC1=CC(C(C2=CC=CC2)c2ccccc2-c2ccccc2)c2ccccc21.
What is the InChIKey of 1-[cyclopenta-1,3-dien-1-yl-(2-phenylphenyl)methyl]-3-methyl-1H-indene?
The InChIKey is JDGNQWGMSJCIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24/c1-20-19-27(25-17-9-7-15-23(20)25)28(22-13-5-6-14-22)26-18-10-8-16-24(26)21-11-3-2-4-12-21/h2-13,15-19,27-28H,14H2,1H3.
What are the key properties of 1-[cyclopenta-1,3-dien-1-yl-(2-phenylphenyl)methyl]-3-methyl-1H-indene?
1-[cyclopenta-1,3-dien-1-yl-(2-phenylphenyl)methyl]-3-methyl-1H-indene has a molecular weight of 360.50 g/mol, XLogP of 7.52, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopenta-1,3-dien-1-yl-(2-phenylphenyl)methyl]-3-methyl-1H-indene is sourced from PubChem (CID 141168944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).