1,3-dimethyl-2-[2-(2-methyl-1H-inden-1-yl)phenyl]-1H-indene

C27H24 — CID 177222864

IUPAC1,3-dimethyl-2-[2-(2-methyl-1H-inden-1-yl)phenyl]-1H-indene
SMILESCC1=Cc2ccccc2C1c1ccccc1C1=C(C)c2ccccc2C1C
InChIInChI=1S/C27H24/c1-17-16-20-10-4-5-13-23(20)26(17)24-14-8-9-15-25(24)27-18(2)21-11-6-7-12-22(21)19(27)3/h4-16,18,26H,1-3H3
InChIKeyJZUWLAPHEKGCLY-UHFFFAOYSA-N
MW348.49 g/mol
LogP7.28
Rot. Bonds2

About 1,3-dimethyl-2-[2-(2-methyl-1H-inden-1-yl)phenyl]-1H-indene

1,3-dimethyl-2-[2-(2-methyl-1H-inden-1-yl)phenyl]-1H-indene (PubChem CID 177222864) has the molecular formula C27H24 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1,3-dimethyl-2-[2-(2-methyl-1H-inden-1-yl)phenyl]-1H-indene.

Molecular Properties

Compound Name1,3-dimethyl-2-[2-(2-methyl-1H-inden-1-yl)phenyl]-1H-indene
PubChem CID177222864
Molecular FormulaC27H24
Molecular Weight348.49 g/mol
Exact Mass348.19
IUPAC Name1,3-dimethyl-2-[2-(2-methyl-1H-inden-1-yl)phenyl]-1H-indene
SMILESCC1=Cc2ccccc2C1c1ccccc1C1=C(C)c2ccccc2C1C
InChIInChI=1S/C27H24/c1-17-16-20-10-4-5-13-23(20)26(17)24-14-8-9-15-25(24)27-18(2)21-11-6-7-12-22(21)19(27)3/h4-16,18,26H,1-3H3
InChIKeyJZUWLAPHEKGCLY-UHFFFAOYSA-N
XLogP7.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 57.28
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 1,3-dimethyl-2-[2-(2-methyl-1H-inden-1-yl)phenyl]-1H-indene?
The IUPAC name of 1,3-dimethyl-2-[2-(2-methyl-1H-inden-1-yl)phenyl]-1H-indene (CID 177222864) is 1,3-dimethyl-2-[2-(2-methyl-1H-inden-1-yl)phenyl]-1H-indene.
What is the SMILES notation for 1,3-dimethyl-2-[2-(2-methyl-1H-inden-1-yl)phenyl]-1H-indene?
The canonical SMILES for 1,3-dimethyl-2-[2-(2-methyl-1H-inden-1-yl)phenyl]-1H-indene is CC1=Cc2ccccc2C1c1ccccc1C1=C(C)c2ccccc2C1C.
What is the InChIKey of 1,3-dimethyl-2-[2-(2-methyl-1H-inden-1-yl)phenyl]-1H-indene?
The InChIKey is JZUWLAPHEKGCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24/c1-17-16-20-10-4-5-13-23(20)26(17)24-14-8-9-15-25(24)27-18(2)21-11-6-7-12-22(21)19(27)3/h4-16,18,26H,1-3H3.
What are the key properties of 1,3-dimethyl-2-[2-(2-methyl-1H-inden-1-yl)phenyl]-1H-indene?
1,3-dimethyl-2-[2-(2-methyl-1H-inden-1-yl)phenyl]-1H-indene has a molecular weight of 348.49 g/mol, XLogP of 7.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-[2-(2-methyl-1H-inden-1-yl)phenyl]-1H-indene is sourced from PubChem (CID 177222864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).