1-[(2-methyl-1H-inden-1-yl)methyl]-4-phenyl-1H-indene

C26H22 — CID 18477321

IUPAC1-[(2-methyl-1H-inden-1-yl)methyl]-4-phenyl-1H-indene
SMILESCC1=Cc2ccccc2C1CC1C=Cc2c(-c3ccccc3)cccc21
InChIInChI=1S/C26H22/c1-18-16-20-10-5-6-11-24(20)26(18)17-21-14-15-25-22(12-7-13-23(21)25)19-8-3-2-4-9-19/h2-16,21,26H,17H2,1H3
InChIKeyOMRGESHPOQHQIK-UHFFFAOYSA-N
MW334.46 g/mol
LogP7.05
Rot. Bonds3

About 1-[(2-methyl-1H-inden-1-yl)methyl]-4-phenyl-1H-indene

1-[(2-methyl-1H-inden-1-yl)methyl]-4-phenyl-1H-indene (PubChem CID 18477321) has the molecular formula C26H22 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[(2-methyl-1H-inden-1-yl)methyl]-4-phenyl-1H-indene.

Molecular Properties

Compound Name1-[(2-methyl-1H-inden-1-yl)methyl]-4-phenyl-1H-indene
PubChem CID18477321
Molecular FormulaC26H22
Molecular Weight334.46 g/mol
Exact Mass334.17
IUPAC Name1-[(2-methyl-1H-inden-1-yl)methyl]-4-phenyl-1H-indene
SMILESCC1=Cc2ccccc2C1CC1C=Cc2c(-c3ccccc3)cccc21
InChIInChI=1S/C26H22/c1-18-16-20-10-5-6-11-24(20)26(18)17-21-14-15-25-22(12-7-13-23(21)25)19-8-3-2-4-9-19/h2-16,21,26H,17H2,1H3
InChIKeyOMRGESHPOQHQIK-UHFFFAOYSA-N
XLogP7.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-2-methyl-1H-indene
CID 12910549
4-cyclohexyl-2-methyl-1-[(2-methyl-1H-inden-1-yl)methyl]-1H-indene
CID 91157559
2-(2-methyl-1H-inden-1-yl)acetic acid
CID 150876820
2,7-dibromo-9-[(2-methyl-1H-inden-1-yl)methyl]-9H-fluorene
CID 67039566
dimethyl-bis[(1R)-2-methyl-4-phenyl-1H-inden-1-yl]silane
CID 101111754
3,6-ditert-butyl-9-[2-(2-methyl-1H-inden-1-yl)ethyl]-9H-fluorene
CID 91296033
[methyl-[(2-methyl-4-phenyl-1H-inden-1-yl)methyl]silylidene]zirconium;bis(2-methyl-4-phenyl-1H-inden-1-ide);chloride
CID 172861665
CID 173305494
CID 173305494
N,N-diethyl-2-(2-methyl-4-phenyl-1H-inden-1-yl)aniline
CID 155667322
2-methyl-1-[4-(2-methyl-7-phenyl-3H-inden-1-yl)butyl]-7-phenyl-1H-indene
CID 57259609
9-[(2-methyl-5-phenyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937239
CID 69304218
CID 69304218

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1H-inden-1-yl)methyl]-4-phenyl-1H-indene?
The IUPAC name of 1-[(2-methyl-1H-inden-1-yl)methyl]-4-phenyl-1H-indene (CID 18477321) is 1-[(2-methyl-1H-inden-1-yl)methyl]-4-phenyl-1H-indene.
What is the SMILES notation for 1-[(2-methyl-1H-inden-1-yl)methyl]-4-phenyl-1H-indene?
The canonical SMILES for 1-[(2-methyl-1H-inden-1-yl)methyl]-4-phenyl-1H-indene is CC1=Cc2ccccc2C1CC1C=Cc2c(-c3ccccc3)cccc21.
What is the InChIKey of 1-[(2-methyl-1H-inden-1-yl)methyl]-4-phenyl-1H-indene?
The InChIKey is OMRGESHPOQHQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22/c1-18-16-20-10-5-6-11-24(20)26(18)17-21-14-15-25-22(12-7-13-23(21)25)19-8-3-2-4-9-19/h2-16,21,26H,17H2,1H3.
What are the key properties of 1-[(2-methyl-1H-inden-1-yl)methyl]-4-phenyl-1H-indene?
1-[(2-methyl-1H-inden-1-yl)methyl]-4-phenyl-1H-indene has a molecular weight of 334.46 g/mol, XLogP of 7.05, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1H-inden-1-yl)methyl]-4-phenyl-1H-indene is sourced from PubChem (CID 18477321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).