1-methyl-1,3-diphenylindene

C22H18 — CID 11977257

IUPAC1-methyl-1,3-diphenylindene
SMILESCC1(c2ccccc2)C=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C22H18/c1-22(18-12-6-3-7-13-18)16-20(17-10-4-2-5-11-17)19-14-8-9-15-21(19)22/h2-16H,1H3
InChIKeyOZCSCAWUFUSFLX-UHFFFAOYSA-N
MW282.39 g/mol
LogP5.44
Rot. Bonds2

About 1-methyl-1,3-diphenylindene

1-methyl-1,3-diphenylindene (PubChem CID 11977257) has the molecular formula C22H18 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-methyl-1,3-diphenylindene.

Molecular Properties

Compound Name1-methyl-1,3-diphenylindene
PubChem CID11977257
Molecular FormulaC22H18
Molecular Weight282.39 g/mol
Exact Mass282.14
IUPAC Name1-methyl-1,3-diphenylindene
SMILESCC1(c2ccccc2)C=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C22H18/c1-22(18-12-6-3-7-13-18)16-20(17-10-4-2-5-11-17)19-14-8-9-15-21(19)22/h2-16H,1H3
InChIKeyOZCSCAWUFUSFLX-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.39
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-diphenyl-1-(trifluoromethyl)indene
CID 137346219
1-ethyl-3-phenyl-1-propylindene
CID 176714898
6,6'-dimethoxy-3,3'-diphenyl-1,1'-spirobi[indene]
CID 118319966
1,1-diphenyl-3-(2,4,6-trimethylphenyl)indene
CID 155933915
2,6-dimethyl-2,4-diphenylchromene
CID 132534957
1,4-diphenyl-2H-naphthalene-1,2-dicarboxylic acid
CID 146503984
cyclopenta-1,3-diene;dimethyl 3-phenylindene-1,1-dicarboxylate
CID 174872515
12,26-dimethyl-2,12,16,26-tetraphenylheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3,5(13),6,8,10,14,16,18,20,22,24,27-tridecaene
CID 58142476
4-methyl-4-phenylthiochromene-2-carbonitrile
CID 14226053
1-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-2-phenylbenzene
CID 158336638
9,9-dimethyl-1-phenylfluorene;methane
CID 142541097
9,9-diphenylfluorene;methoxymethane
CID 143139467

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,3-diphenylindene?
The IUPAC name of 1-methyl-1,3-diphenylindene (CID 11977257) is 1-methyl-1,3-diphenylindene.
What is the SMILES notation for 1-methyl-1,3-diphenylindene?
The canonical SMILES for 1-methyl-1,3-diphenylindene is CC1(c2ccccc2)C=C(c2ccccc2)c2ccccc21.
What is the InChIKey of 1-methyl-1,3-diphenylindene?
The InChIKey is OZCSCAWUFUSFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18/c1-22(18-12-6-3-7-13-18)16-20(17-10-4-2-5-11-17)19-14-8-9-15-21(19)22/h2-16H,1H3.
What are the key properties of 1-methyl-1,3-diphenylindene?
1-methyl-1,3-diphenylindene has a molecular weight of 282.39 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,3-diphenylindene is sourced from PubChem (CID 11977257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).