1-[[2-(1H-inden-1-ylmethyl)-4,5-dimethylphenyl]methyl]-1H-indene

C28H26 — CID 167430736

IUPAC1-[[2-(1H-inden-1-ylmethyl)-4,5-dimethylphenyl]methyl]-1H-indene
SMILESCc1cc(CC2C=Cc3ccccc32)c(CC2C=Cc3ccccc32)cc1C
InChIInChI=1S/C28H26/c1-19-15-25(17-23-13-11-21-7-3-5-9-27(21)23)26(16-20(19)2)18-24-14-12-22-8-4-6-10-28(22)24/h3-16,23-24H,17-18H2,1-2H3
InChIKeyVVOVJTSTLDJCOU-UHFFFAOYSA-N
MW362.52 g/mol
LogP7.01
Rot. Bonds4

About 1-[[2-(1H-inden-1-ylmethyl)-4,5-dimethylphenyl]methyl]-1H-indene

1-[[2-(1H-inden-1-ylmethyl)-4,5-dimethylphenyl]methyl]-1H-indene (PubChem CID 167430736) has the molecular formula C28H26 and a molecular weight of 362.52 g/mol. Its IUPAC name is 1-[[2-(1H-inden-1-ylmethyl)-4,5-dimethylphenyl]methyl]-1H-indene.

Molecular Properties

Compound Name1-[[2-(1H-inden-1-ylmethyl)-4,5-dimethylphenyl]methyl]-1H-indene
PubChem CID167430736
Molecular FormulaC28H26
Molecular Weight362.52 g/mol
Exact Mass362.20
IUPAC Name1-[[2-(1H-inden-1-ylmethyl)-4,5-dimethylphenyl]methyl]-1H-indene
SMILESCc1cc(CC2C=Cc3ccccc32)c(CC2C=Cc3ccccc32)cc1C
InChIInChI=1S/C28H26/c1-19-15-25(17-23-13-11-21-7-3-5-9-27(21)23)26(16-20(19)2)18-24-14-12-22-8-4-6-10-28(22)24/h3-16,23-24H,17-18H2,1-2H3
InChIKeyVVOVJTSTLDJCOU-UHFFFAOYSA-N
XLogP7.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7-(1H-inden-1-ylmethyl)-1,2,3,6-tetramethylcyclopenta[b]indole
CID 69129788
1-benzyl-5,6-dimethyl-1H-indene
CID 156638082
1-[2-(1H-inden-1-yl)ethyl]-1H-indene;propane;zirconium
CID 162275229
1-(cyclopenta-1,3-dien-1-ylmethyl)-1H-indene
CID 21188895
1H-inden-1-ylmethanamine;hydrochloride
CID 67915005
2-(1H-inden-1-yl)ethanol
CID 23288751
1H-inden-1-ylmethanol;zirconium(3+);trichloride
CID 160514692
1-[(4-ethenylphenyl)methyl]-1H-indene
CID 170649356
1-butyl-1H-indene;zirconium
CID 175289141
1-(1H-inden-2-ylmethyl)-1H-indene
CID 87862084
1H-inden-1-ylmethoxysilane
CID 137328287
CID 162143943
CID 162143943

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(1H-inden-1-ylmethyl)-4,5-dimethylphenyl]methyl]-1H-indene?
The IUPAC name of 1-[[2-(1H-inden-1-ylmethyl)-4,5-dimethylphenyl]methyl]-1H-indene (CID 167430736) is 1-[[2-(1H-inden-1-ylmethyl)-4,5-dimethylphenyl]methyl]-1H-indene.
What is the SMILES notation for 1-[[2-(1H-inden-1-ylmethyl)-4,5-dimethylphenyl]methyl]-1H-indene?
The canonical SMILES for 1-[[2-(1H-inden-1-ylmethyl)-4,5-dimethylphenyl]methyl]-1H-indene is Cc1cc(CC2C=Cc3ccccc32)c(CC2C=Cc3ccccc32)cc1C.
What is the InChIKey of 1-[[2-(1H-inden-1-ylmethyl)-4,5-dimethylphenyl]methyl]-1H-indene?
The InChIKey is VVOVJTSTLDJCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26/c1-19-15-25(17-23-13-11-21-7-3-5-9-27(21)23)26(16-20(19)2)18-24-14-12-22-8-4-6-10-28(22)24/h3-16,23-24H,17-18H2,1-2H3.
What are the key properties of 1-[[2-(1H-inden-1-ylmethyl)-4,5-dimethylphenyl]methyl]-1H-indene?
1-[[2-(1H-inden-1-ylmethyl)-4,5-dimethylphenyl]methyl]-1H-indene has a molecular weight of 362.52 g/mol, XLogP of 7.01, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(1H-inden-1-ylmethyl)-4,5-dimethylphenyl]methyl]-1H-indene is sourced from PubChem (CID 167430736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).