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

C28H24 — CID 631360

IUPAC1-methyl-1,3,3-triphenyl-2H-indene
SMILESCC1(c2ccccc2)CC(c2ccccc2)(c2ccccc2)c2ccccc21
InChIInChI=1S/C28H24/c1-27(22-13-5-2-6-14-22)21-28(23-15-7-3-8-16-23,24-17-9-4-10-18-24)26-20-12-11-19-25(26)27/h2-20H,21H2,1H3
InChIKeyNHZVDEWMDVTVLX-UHFFFAOYSA-N
MW360.50 g/mol
LogP6.73
Rot. Bonds3

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

1-methyl-1,3,3-triphenyl-2H-indene (PubChem CID 631360) has the molecular formula C28H24 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-methyl-1,3,3-triphenyl-2H-indene.

Molecular Properties

Compound Name1-methyl-1,3,3-triphenyl-2H-indene
PubChem CID631360
Molecular FormulaC28H24
Molecular Weight360.50 g/mol
Exact Mass360.19
IUPAC Name1-methyl-1,3,3-triphenyl-2H-indene
SMILESCC1(c2ccccc2)CC(c2ccccc2)(c2ccccc2)c2ccccc21
InChIInChI=1S/C28H24/c1-27(22-13-5-2-6-14-22)21-28(23-15-7-3-8-16-23,24-17-9-4-10-18-24)26-20-12-11-19-25(26)27/h2-20H,21H2,1H3
InChIKeyNHZVDEWMDVTVLX-UHFFFAOYSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,3,3-triphenyl-2H-indene?
The IUPAC name of 1-methyl-1,3,3-triphenyl-2H-indene (CID 631360) is 1-methyl-1,3,3-triphenyl-2H-indene.
What is the SMILES notation for 1-methyl-1,3,3-triphenyl-2H-indene?
The canonical SMILES for 1-methyl-1,3,3-triphenyl-2H-indene is CC1(c2ccccc2)CC(c2ccccc2)(c2ccccc2)c2ccccc21.
What is the InChIKey of 1-methyl-1,3,3-triphenyl-2H-indene?
The InChIKey is NHZVDEWMDVTVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24/c1-27(22-13-5-2-6-14-22)21-28(23-15-7-3-8-16-23,24-17-9-4-10-18-24)26-20-12-11-19-25(26)27/h2-20H,21H2,1H3.
What are the key properties of 1-methyl-1,3,3-triphenyl-2H-indene?
1-methyl-1,3,3-triphenyl-2H-indene has a molecular weight of 360.50 g/mol, XLogP of 6.73, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,3,3-triphenyl-2H-indene is sourced from PubChem (CID 631360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).