4-(3,5-diphenylphenyl)-2-methyl-1H-indene

C28H22 — CID 141047281

IUPAC4-(3,5-diphenylphenyl)-2-methyl-1H-indene
SMILESCC1=Cc2c(cccc2-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)C1
InChIInChI=1S/C28H22/c1-20-15-23-13-8-14-27(28(23)16-20)26-18-24(21-9-4-2-5-10-21)17-25(19-26)22-11-6-3-7-12-22/h2-14,16-19H,15H2,1H3
InChIKeyYCBWVTAPDFXILF-UHFFFAOYSA-N
MW358.48 g/mol
LogP7.65
Rot. Bonds3

About 4-(3,5-diphenylphenyl)-2-methyl-1H-indene

4-(3,5-diphenylphenyl)-2-methyl-1H-indene (PubChem CID 141047281) has the molecular formula C28H22 and a molecular weight of 358.48 g/mol. Its IUPAC name is 4-(3,5-diphenylphenyl)-2-methyl-1H-indene.

Molecular Properties

Compound Name4-(3,5-diphenylphenyl)-2-methyl-1H-indene
PubChem CID141047281
Molecular FormulaC28H22
Molecular Weight358.48 g/mol
Exact Mass358.17
IUPAC Name4-(3,5-diphenylphenyl)-2-methyl-1H-indene
SMILESCC1=Cc2c(cccc2-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)C1
InChIInChI=1S/C28H22/c1-20-15-23-13-8-14-27(28(23)16-20)26-18-24(21-9-4-2-5-10-21)17-25(19-26)22-11-6-3-7-12-22/h2-14,16-19H,15H2,1H3
InChIKeyYCBWVTAPDFXILF-UHFFFAOYSA-N
XLogP7.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methyl-4-(3-phenylphenyl)-1H-indene
CID 18008269
[3-(2-methyl-1H-inden-4-yl)phenyl]-diphenylphosphane
CID 173242054
dimethylsilylidenezirconium(2+);bis(2-methyl-4-phenyl-1H-indene);dichloride
CID 173107373
4-(3,5-dimethoxyphenyl)-2-methyl-1H-indene
CID 173192850
dichlorozirconium;4-(3,5-difluorophenyl)-2-methyl-1H-indene
CID 175439244
4-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-1H-indene;carbanide;zirconium(2+)
CID 175436498
2-tert-butyl-4-phenyl-1H-indene
CID 87188208
4-(3,5-diphenylphenyl)-1H-indene
CID 22471910
4-(2,3-dimethylphenyl)-2-methyl-1H-indene
CID 22259782
N,N-dimethyl-4-phenyl-1H-inden-2-amine
CID 151077221
4-(2-methylphenyl)-2-phenyl-1H-indene
CID 87905958
4-(3,5-ditert-butyl-4-methoxyphenyl)-2-methyl-1H-indene;dichlorozirconium
CID 174797016

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-diphenylphenyl)-2-methyl-1H-indene?
The IUPAC name of 4-(3,5-diphenylphenyl)-2-methyl-1H-indene (CID 141047281) is 4-(3,5-diphenylphenyl)-2-methyl-1H-indene.
What is the SMILES notation for 4-(3,5-diphenylphenyl)-2-methyl-1H-indene?
The canonical SMILES for 4-(3,5-diphenylphenyl)-2-methyl-1H-indene is CC1=Cc2c(cccc2-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)C1.
What is the InChIKey of 4-(3,5-diphenylphenyl)-2-methyl-1H-indene?
The InChIKey is YCBWVTAPDFXILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22/c1-20-15-23-13-8-14-27(28(23)16-20)26-18-24(21-9-4-2-5-10-21)17-25(19-26)22-11-6-3-7-12-22/h2-14,16-19H,15H2,1H3.
What are the key properties of 4-(3,5-diphenylphenyl)-2-methyl-1H-indene?
4-(3,5-diphenylphenyl)-2-methyl-1H-indene has a molecular weight of 358.48 g/mol, XLogP of 7.65, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-diphenylphenyl)-2-methyl-1H-indene is sourced from PubChem (CID 141047281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).