1-methyl-2,3-diphenyl-1H-indene

C22H18 — CID 10016640

IUPAC1-methyl-2,3-diphenyl-1H-indene
SMILESCC1C(c2ccccc2)=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C22H18/c1-16-19-14-8-9-15-20(19)22(18-12-6-3-7-13-18)21(16)17-10-4-2-5-11-17/h2-16H,1H3
InChIKeyGWYHPPDHAQEXIP-UHFFFAOYSA-N
MW282.39 g/mol
LogP5.76
Rot. Bonds2

About 1-methyl-2,3-diphenyl-1H-indene

1-methyl-2,3-diphenyl-1H-indene (PubChem CID 10016640) has the molecular formula C22H18 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-methyl-2,3-diphenyl-1H-indene.

Molecular Properties

Compound Name1-methyl-2,3-diphenyl-1H-indene
PubChem CID10016640
Molecular FormulaC22H18
Molecular Weight282.39 g/mol
Exact Mass282.14
IUPAC Name1-methyl-2,3-diphenyl-1H-indene
SMILESCC1C(c2ccccc2)=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C22H18/c1-16-19-14-8-9-15-20(19)22(18-12-6-3-7-13-18)21(16)17-10-4-2-5-11-17/h2-16H,1H3
InChIKeyGWYHPPDHAQEXIP-UHFFFAOYSA-N
XLogP5.76
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 ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3-diphenyl-1H-indene?
The IUPAC name of 1-methyl-2,3-diphenyl-1H-indene (CID 10016640) is 1-methyl-2,3-diphenyl-1H-indene.
What is the SMILES notation for 1-methyl-2,3-diphenyl-1H-indene?
The canonical SMILES for 1-methyl-2,3-diphenyl-1H-indene is CC1C(c2ccccc2)=C(c2ccccc2)c2ccccc21.
What is the InChIKey of 1-methyl-2,3-diphenyl-1H-indene?
The InChIKey is GWYHPPDHAQEXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18/c1-16-19-14-8-9-15-20(19)22(18-12-6-3-7-13-18)21(16)17-10-4-2-5-11-17/h2-16H,1H3.
What are the key properties of 1-methyl-2,3-diphenyl-1H-indene?
1-methyl-2,3-diphenyl-1H-indene has a molecular weight of 282.39 g/mol, XLogP of 5.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3-diphenyl-1H-indene is sourced from PubChem (CID 10016640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).