2,5-dimethyl-7-(4-methylphenyl)-2,3-dihydroinden-1-one;2,5-dimethyl-7-phenyl-2,3-dihydroinden-1-one;2,5-dimethyl-7-thiophen-2-yl-2,3-dihydroinden-1-one;2-methyl-5,7-diphenyl-2,3-dihydroinden-1-one;2-methyl-7-naphthalen-1-yl-5-phenyl-2,3-dihydroinden-1-one

C98H86O5S — CID 158274771

IUPAC2,5-dimethyl-7-(4-methylphenyl)-2,3-dihydroinden-1-one;2,5-dimethyl-7-phenyl-2,3-dihydroinden-1-one;2,5-dimethyl-7-thiophen-2-yl-2,3-dihydroinden-1-one;2-methyl-5,7-diphenyl-2,3-dihydroinden-1-one;2-methyl-7-naphthalen-1-yl-5-phenyl-2,3-dihydroinden-1-one
SMILESCC1Cc2cc(-c3ccccc3)cc(-c3cccc4ccccc34)c2C1=O.CC1Cc2cc(-c3ccccc3)cc(-c3ccccc3)c2C1=O.Cc1cc2c(c(-c3ccccc3)c1)C(=O)C(C)C2.Cc1cc2c(c(-c3cccs3)c1)C(=O)C(C)C2.Cc1ccc(-c2cc(C)cc3c2C(=O)C(C)C3)cc1
InChIInChI=1S/C26H20O.C22H18O.C18H18O.C17H16O.C15H14OS/c1-17-14-21-15-20(18-8-3-2-4-9-18)16-24(25(21)26(17)27)23-13-7-11-19-10-5-6-12-22(19)23;1-15-12-19-13-18(16-8-4-2-5-9-16)14-20(21(19)22(15)23)17-10-6-3-7-11-17;1-11-4-6-14(7-5-11)16-9-12(2)8-15-10-13(3)18(19)17(15)16;1-11-8-14-10-12(2)17(18)16(14)15(9-11)13-6-4-3-5-7-13;1-9-6-11-8-10(2)15(16)14(11)12(7-9)13-4-3-5-17-13/h2-13,15-17H,14H2,1H3;2-11,13-15H,12H2,1H3;4-9,13H,10H2,1-3H3;3-9,12H,10H2,1-2H3;3-7,10H,8H2,1-2H3
InChIKeyGJLYLBFNYKAMLU-UHFFFAOYSA-N
MW1375.83 g/mol
LogP24.42
Rot. Bonds7

About 2,5-dimethyl-7-(4-methylphenyl)-2,3-dihydroinden-1-one;2,5-dimethyl-7-phenyl-2,3-dihydroinden-1-one;2,5-dimethyl-7-thiophen-2-yl-2,3-dihydroinden-1-one;2-methyl-5,7-diphenyl-2,3-dihydroinden-1-one;2-methyl-7-naphthalen-1-yl-5-phenyl-2,3-dihydroinden-1-one

2,5-dimethyl-7-(4-methylphenyl)-2,3-dihydroinden-1-one;2,5-dimethyl-7-phenyl-2,3-dihydroinden-1-one;2,5-dimethyl-7-thiophen-2-yl-2,3-dihydroinden-1-one;2-methyl-5,7-diphenyl-2,3-dihydroinden-1-one;2-methyl-7-naphthalen-1-yl-5-phenyl-2,3-dihydroinden-1-one (PubChem CID 158274771) has the molecular formula C98H86O5S and a molecular weight of 1375.83 g/mol. Its IUPAC name is 2,5-dimethyl-7-(4-methylphenyl)-2,3-dihydroinden-1-one;2,5-dimethyl-7-phenyl-2,3-dihydroinden-1-one;2,5-dimethyl-7-thiophen-2-yl-2,3-dihydroinden-1-one;2-methyl-5,7-diphenyl-2,3-dihydroinden-1-one;2-methyl-7-naphthalen-1-yl-5-phenyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2,5-dimethyl-7-(4-methylphenyl)-2,3-dihydroinden-1-one;2,5-dimethyl-7-phenyl-2,3-dihydroinden-1-one;2,5-dimethyl-7-thiophen-2-yl-2,3-dihydroinden-1-one;2-methyl-5,7-diphenyl-2,3-dihydroinden-1-one;2-methyl-7-naphthalen-1-yl-5-phenyl-2,3-dihydroinden-1-one
PubChem CID158274771
Molecular FormulaC98H86O5S
Molecular Weight1375.83 g/mol
Exact Mass1374.62
IUPAC Name2,5-dimethyl-7-(4-methylphenyl)-2,3-dihydroinden-1-one;2,5-dimethyl-7-phenyl-2,3-dihydroinden-1-one;2,5-dimethyl-7-thiophen-2-yl-2,3-dihydroinden-1-one;2-methyl-5,7-diphenyl-2,3-dihydroinden-1-one;2-methyl-7-naphthalen-1-yl-5-phenyl-2,3-dihydroinden-1-one
SMILESCC1Cc2cc(-c3ccccc3)cc(-c3cccc4ccccc34)c2C1=O.CC1Cc2cc(-c3ccccc3)cc(-c3ccccc3)c2C1=O.Cc1cc2c(c(-c3ccccc3)c1)C(=O)C(C)C2.Cc1cc2c(c(-c3cccs3)c1)C(=O)C(C)C2.Cc1ccc(-c2cc(C)cc3c2C(=O)C(C)C3)cc1
InChIInChI=1S/C26H20O.C22H18O.C18H18O.C17H16O.C15H14OS/c1-17-14-21-15-20(18-8-3-2-4-9-18)16-24(25(21)26(17)27)23-13-7-11-19-10-5-6-12-22(19)23;1-15-12-19-13-18(16-8-4-2-5-9-16)14-20(21(19)22(15)23)17-10-6-3-7-11-17;1-11-4-6-14(7-5-11)16-9-12(2)8-15-10-13(3)18(19)17(15)16;1-11-8-14-10-12(2)17(18)16(14)15(9-11)13-6-4-3-5-7-13;1-9-6-11-8-10(2)15(16)14(11)12(7-9)13-4-3-5-17-13/h2-13,15-17H,14H2,1H3;2-11,13-15H,12H2,1H3;4-9,13H,10H2,1-3H3;3-9,12H,10H2,1-2H3;3-7,10H,8H2,1-2H3
InChIKeyGJLYLBFNYKAMLU-UHFFFAOYSA-N
XLogP24.42
TPSA85.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001375.83
LogP ≤ 524.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,5-dimethyl-7-(4-methylphenyl)-2,3-dihydroinden-1-one;2,5-dimethyl-7-phenyl-2,3-dihydroinden-1-one;2,5-dimethyl-7-thiophen-2-yl-2,3-dihydroinden-1-one;2-methyl-5,7-diphenyl-2,3-dihydroinden-1-one;2-methyl-7-naphthalen-1-yl-5-phenyl-2,3-dihydroinden-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-7-(4-methylphenyl)-2,3-dihydroinden-1-one;2,5-dimethyl-7-phenyl-2,3-dihydroinden-1-one;2,5-dimethyl-7-thiophen-2-yl-2,3-dihydroinden-1-one;2-methyl-5,7-diphenyl-2,3-dihydroinden-1-one;2-methyl-7-naphthalen-1-yl-5-phenyl-2,3-dihydroinden-1-one?
The IUPAC name of 2,5-dimethyl-7-(4-methylphenyl)-2,3-dihydroinden-1-one;2,5-dimethyl-7-phenyl-2,3-dihydroinden-1-one;2,5-dimethyl-7-thiophen-2-yl-2,3-dihydroinden-1-one;2-methyl-5,7-diphenyl-2,3-dihydroinden-1-one;2-methyl-7-naphthalen-1-yl-5-phenyl-2,3-dihydroinden-1-one (CID 158274771) is 2,5-dimethyl-7-(4-methylphenyl)-2,3-dihydroinden-1-one;2,5-dimethyl-7-phenyl-2,3-dihydroinden-1-one;2,5-dimethyl-7-thiophen-2-yl-2,3-dihydroinden-1-one;2-methyl-5,7-diphenyl-2,3-dihydroinden-1-one;2-methyl-7-naphthalen-1-yl-5-phenyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 2,5-dimethyl-7-(4-methylphenyl)-2,3-dihydroinden-1-one;2,5-dimethyl-7-phenyl-2,3-dihydroinden-1-one;2,5-dimethyl-7-thiophen-2-yl-2,3-dihydroinden-1-one;2-methyl-5,7-diphenyl-2,3-dihydroinden-1-one;2-methyl-7-naphthalen-1-yl-5-phenyl-2,3-dihydroinden-1-one?
The canonical SMILES for 2,5-dimethyl-7-(4-methylphenyl)-2,3-dihydroinden-1-one;2,5-dimethyl-7-phenyl-2,3-dihydroinden-1-one;2,5-dimethyl-7-thiophen-2-yl-2,3-dihydroinden-1-one;2-methyl-5,7-diphenyl-2,3-dihydroinden-1-one;2-methyl-7-naphthalen-1-yl-5-phenyl-2,3-dihydroinden-1-one is CC1Cc2cc(-c3ccccc3)cc(-c3cccc4ccccc34)c2C1=O.CC1Cc2cc(-c3ccccc3)cc(-c3ccccc3)c2C1=O.Cc1cc2c(c(-c3ccccc3)c1)C(=O)C(C)C2.Cc1cc2c(c(-c3cccs3)c1)C(=O)C(C)C2.Cc1ccc(-c2cc(C)cc3c2C(=O)C(C)C3)cc1.
What is the InChIKey of 2,5-dimethyl-7-(4-methylphenyl)-2,3-dihydroinden-1-one;2,5-dimethyl-7-phenyl-2,3-dihydroinden-1-one;2,5-dimethyl-7-thiophen-2-yl-2,3-dihydroinden-1-one;2-methyl-5,7-diphenyl-2,3-dihydroinden-1-one;2-methyl-7-naphthalen-1-yl-5-phenyl-2,3-dihydroinden-1-one?
The InChIKey is GJLYLBFNYKAMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O.C22H18O.C18H18O.C17H16O.C15H14OS/c1-17-14-21-15-20(18-8-3-2-4-9-18)16-24(25(21)26(17)27)23-13-7-11-19-10-5-6-12-22(19)23;1-15-12-19-13-18(16-8-4-2-5-9-16)14-20(21(19)22(15)23)17-10-6-3-7-11-17;1-11-4-6-14(7-5-11)16-9-12(2)8-15-10-13(3)18(19)17(15)16;1-11-8-14-10-12(2)17(18)16(14)15(9-11)13-6-4-3-5-7-13;1-9-6-11-8-10(2)15(16)14(11)12(7-9)13-4-3-5-17-13/h2-13,15-17H,14H2,1H3;2-11,13-15H,12H2,1H3;4-9,13H,10H2,1-3H3;3-9,12H,10H2,1-2H3;3-7,10H,8H2,1-2H3.
What are the key properties of 2,5-dimethyl-7-(4-methylphenyl)-2,3-dihydroinden-1-one;2,5-dimethyl-7-phenyl-2,3-dihydroinden-1-one;2,5-dimethyl-7-thiophen-2-yl-2,3-dihydroinden-1-one;2-methyl-5,7-diphenyl-2,3-dihydroinden-1-one;2-methyl-7-naphthalen-1-yl-5-phenyl-2,3-dihydroinden-1-one?
2,5-dimethyl-7-(4-methylphenyl)-2,3-dihydroinden-1-one;2,5-dimethyl-7-phenyl-2,3-dihydroinden-1-one;2,5-dimethyl-7-thiophen-2-yl-2,3-dihydroinden-1-one;2-methyl-5,7-diphenyl-2,3-dihydroinden-1-one;2-methyl-7-naphthalen-1-yl-5-phenyl-2,3-dihydroinden-1-one has a molecular weight of 1375.83 g/mol, XLogP of 24.42, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-7-(4-methylphenyl)-2,3-dihydroinden-1-one;2,5-dimethyl-7-phenyl-2,3-dihydroinden-1-one;2,5-dimethyl-7-thiophen-2-yl-2,3-dihydroinden-1-one;2-methyl-5,7-diphenyl-2,3-dihydroinden-1-one;2-methyl-7-naphthalen-1-yl-5-phenyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 158274771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).