3-[[3-[(3,4-diethylphenyl)methyl]phenyl]methyl]-7-methyl-1H-indene

C28H30 — CID 123849825

IUPAC3-[[3-[(3,4-diethylphenyl)methyl]phenyl]methyl]-7-methyl-1H-indene
SMILESCCc1ccc(Cc2cccc(CC3=CCc4c(C)cccc43)c2)cc1CC
InChIInChI=1S/C28H30/c1-4-24-13-12-23(18-25(24)5-2)17-21-9-7-10-22(16-21)19-26-14-15-27-20(3)8-6-11-28(26)27/h6-14,16,18H,4-5,15,17,19H2,1-3H3
InChIKeyWQXUQEKPFUTRJK-UHFFFAOYSA-N
MW366.55 g/mol
LogP6.89
Rot. Bonds6

About 3-[[3-[(3,4-diethylphenyl)methyl]phenyl]methyl]-7-methyl-1H-indene

3-[[3-[(3,4-diethylphenyl)methyl]phenyl]methyl]-7-methyl-1H-indene (PubChem CID 123849825) has the molecular formula C28H30 and a molecular weight of 366.55 g/mol. Its IUPAC name is 3-[[3-[(3,4-diethylphenyl)methyl]phenyl]methyl]-7-methyl-1H-indene.

Molecular Properties

Compound Name3-[[3-[(3,4-diethylphenyl)methyl]phenyl]methyl]-7-methyl-1H-indene
PubChem CID123849825
Molecular FormulaC28H30
Molecular Weight366.55 g/mol
Exact Mass366.23
IUPAC Name3-[[3-[(3,4-diethylphenyl)methyl]phenyl]methyl]-7-methyl-1H-indene
SMILESCCc1ccc(Cc2cccc(CC3=CCc4c(C)cccc43)c2)cc1CC
InChIInChI=1S/C28H30/c1-4-24-13-12-23(18-25(24)5-2)17-21-9-7-10-22(16-21)19-26-14-15-27-20(3)8-6-11-28(26)27/h6-14,16,18H,4-5,15,17,19H2,1-3H3
InChIKeyWQXUQEKPFUTRJK-UHFFFAOYSA-N
XLogP6.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[3-[[3-[(6-methyl-3H-inden-1-yl)methyl]phenyl]methyl]phenyl]ethanone
CID 71233327
1,2,4-triethylbenzene;1,2,3-trimethylbenzene
CID 160595635
6-[[3-[(6-methyl-3H-inden-1-yl)methyl]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene
CID 123515554
1-benzyl-2,4-diethylbenzene
CID 139691839
1-[(2-ethylphenyl)methyl]-4-[(2-methylphenyl)methyl]benzene
CID 22919163
2,4-diethyl-1-(2-methylphenyl)benzene
CID 142070386
3-[1-[3-[(3-cyclohexyl-5-methylphenyl)methyl]phenyl]ethyl]-7-methyl-1H-indene
CID 123963282
1-(3,4-diethylphenyl)-N-methylmethanamine
CID 115482275
(3,4-diethylphenyl)-(2,3-dimethylphenyl)methanone
CID 115481860
3-tert-butyl-7-methyl-1H-indene
CID 159200998
1,2-diethyl-4-propylbenzene
CID 54363919
1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene
CID 20706895

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(3,4-diethylphenyl)methyl]phenyl]methyl]-7-methyl-1H-indene?
The IUPAC name of 3-[[3-[(3,4-diethylphenyl)methyl]phenyl]methyl]-7-methyl-1H-indene (CID 123849825) is 3-[[3-[(3,4-diethylphenyl)methyl]phenyl]methyl]-7-methyl-1H-indene.
What is the SMILES notation for 3-[[3-[(3,4-diethylphenyl)methyl]phenyl]methyl]-7-methyl-1H-indene?
The canonical SMILES for 3-[[3-[(3,4-diethylphenyl)methyl]phenyl]methyl]-7-methyl-1H-indene is CCc1ccc(Cc2cccc(CC3=CCc4c(C)cccc43)c2)cc1CC.
What is the InChIKey of 3-[[3-[(3,4-diethylphenyl)methyl]phenyl]methyl]-7-methyl-1H-indene?
The InChIKey is WQXUQEKPFUTRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30/c1-4-24-13-12-23(18-25(24)5-2)17-21-9-7-10-22(16-21)19-26-14-15-27-20(3)8-6-11-28(26)27/h6-14,16,18H,4-5,15,17,19H2,1-3H3.
What are the key properties of 3-[[3-[(3,4-diethylphenyl)methyl]phenyl]methyl]-7-methyl-1H-indene?
3-[[3-[(3,4-diethylphenyl)methyl]phenyl]methyl]-7-methyl-1H-indene has a molecular weight of 366.55 g/mol, XLogP of 6.89, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(3,4-diethylphenyl)methyl]phenyl]methyl]-7-methyl-1H-indene is sourced from PubChem (CID 123849825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).