7-[3,5-bis(trifluoromethyl)phenyl]-2-(trifluoromethyl)-2,3-dihydroinden-1-one;2,6-dimethyl-7-phenyl-2,3-dihydroinden-1-one;4-methoxy-2-methyl-7-phenyl-2,3-dihydroinden-1-one;7-(4-methoxyphenyl)-2-(trifluoromethyl)-2,3-dihydroinden-1-one

C69H54F12O6 — CID 157154982

IUPAC7-[3,5-bis(trifluoromethyl)phenyl]-2-(trifluoromethyl)-2,3-dihydroinden-1-one;2,6-dimethyl-7-phenyl-2,3-dihydroinden-1-one;4-methoxy-2-methyl-7-phenyl-2,3-dihydroinden-1-one;7-(4-methoxyphenyl)-2-(trifluoromethyl)-2,3-dihydroinden-1-one
SMILESCOc1ccc(-c2cccc3c2C(=O)C(C(F)(F)F)C3)cc1.COc1ccc(-c2ccccc2)c2c1CC(C)C2=O.Cc1ccc2c(c1-c1ccccc1)C(=O)C(C)C2.O=C1c2c(cccc2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1C(F)(F)F
InChIInChI=1S/C18H9F9O.C17H13F3O2.C17H16O2.C17H16O/c19-16(20,21)10-4-9(5-11(7-10)17(22,23)24)12-3-1-2-8-6-13(18(25,26)27)15(28)14(8)12;1-22-12-7-5-10(6-8-12)13-4-2-3-11-9-14(17(18,19)20)16(21)15(11)13;1-11-10-14-15(19-2)9-8-13(16(14)17(11)18)12-6-4-3-5-7-12;1-11-8-9-14-10-12(2)17(18)16(14)15(11)13-6-4-3-5-7-13/h1-5,7,13H,6H2;2-8,14H,9H2,1H3;3-9,11H,10H2,1-2H3;3-9,12H,10H2,1-2H3
InChIKeyALRXRHJONDXTDJ-UHFFFAOYSA-N
MW1207.16 g/mol
LogP18.36
Rot. Bonds6

About 7-[3,5-bis(trifluoromethyl)phenyl]-2-(trifluoromethyl)-2,3-dihydroinden-1-one;2,6-dimethyl-7-phenyl-2,3-dihydroinden-1-one;4-methoxy-2-methyl-7-phenyl-2,3-dihydroinden-1-one;7-(4-methoxyphenyl)-2-(trifluoromethyl)-2,3-dihydroinden-1-one

7-[3,5-bis(trifluoromethyl)phenyl]-2-(trifluoromethyl)-2,3-dihydroinden-1-one;2,6-dimethyl-7-phenyl-2,3-dihydroinden-1-one;4-methoxy-2-methyl-7-phenyl-2,3-dihydroinden-1-one;7-(4-methoxyphenyl)-2-(trifluoromethyl)-2,3-dihydroinden-1-one (PubChem CID 157154982) has the molecular formula C69H54F12O6 and a molecular weight of 1207.16 g/mol. Its IUPAC name is 7-[3,5-bis(trifluoromethyl)phenyl]-2-(trifluoromethyl)-2,3-dihydroinden-1-one;2,6-dimethyl-7-phenyl-2,3-dihydroinden-1-one;4-methoxy-2-methyl-7-phenyl-2,3-dihydroinden-1-one;7-(4-methoxyphenyl)-2-(trifluoromethyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name7-[3,5-bis(trifluoromethyl)phenyl]-2-(trifluoromethyl)-2,3-dihydroinden-1-one;2,6-dimethyl-7-phenyl-2,3-dihydroinden-1-one;4-methoxy-2-methyl-7-phenyl-2,3-dihydroinden-1-one;7-(4-methoxyphenyl)-2-(trifluoromethyl)-2,3-dihydroinden-1-one
PubChem CID157154982
Molecular FormulaC69H54F12O6
Molecular Weight1207.16 g/mol
Exact Mass1206.37
IUPAC Name7-[3,5-bis(trifluoromethyl)phenyl]-2-(trifluoromethyl)-2,3-dihydroinden-1-one;2,6-dimethyl-7-phenyl-2,3-dihydroinden-1-one;4-methoxy-2-methyl-7-phenyl-2,3-dihydroinden-1-one;7-(4-methoxyphenyl)-2-(trifluoromethyl)-2,3-dihydroinden-1-one
SMILESCOc1ccc(-c2cccc3c2C(=O)C(C(F)(F)F)C3)cc1.COc1ccc(-c2ccccc2)c2c1CC(C)C2=O.Cc1ccc2c(c1-c1ccccc1)C(=O)C(C)C2.O=C1c2c(cccc2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1C(F)(F)F
InChIInChI=1S/C18H9F9O.C17H13F3O2.C17H16O2.C17H16O/c19-16(20,21)10-4-9(5-11(7-10)17(22,23)24)12-3-1-2-8-6-13(18(25,26)27)15(28)14(8)12;1-22-12-7-5-10(6-8-12)13-4-2-3-11-9-14(17(18,19)20)16(21)15(11)13;1-11-10-14-15(19-2)9-8-13(16(14)17(11)18)12-6-4-3-5-7-12;1-11-8-9-14-10-12(2)17(18)16(14)15(11)13-6-4-3-5-7-13/h1-5,7,13H,6H2;2-8,14H,9H2,1H3;3-9,11H,10H2,1-2H3;3-9,12H,10H2,1-2H3
InChIKeyALRXRHJONDXTDJ-UHFFFAOYSA-N
XLogP18.36
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001207.16
LogP ≤ 518.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[3,5-bis(trifluoromethyl)phenyl]-2-(trifluoromethyl)-2,3-dihydroinden-1-one;2,6-dimethyl-7-phenyl-2,3-dihydroinden-1-one;4-methoxy-2-methyl-7-phenyl-2,3-dihydroinden-1-one;7-(4-methoxyphenyl)-2-(trifluoromethyl)-2,3-dihydroinden-1-one with MolForge

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Related Compounds

(2R,3R)-5-methoxy-2-(4-methoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]-2,3-dihydroinden-1-one
CID 127030703
(2R,3R)-5-methoxy-2-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one
CID 127030704
(2R,3R)-5-methoxy-2-(4-methoxyphenyl)-3-naphthalen-2-yl-2,3-dihydroinden-1-one
CID 127031317
(2R,3R)-5-methoxy-2-(4-methoxyphenyl)-3-(4-phenylphenyl)-2,3-dihydroinden-1-one
CID 127031318
10-(4-Fluorophenyl)-7-methoxy-5-(4-methylphenyl)benzo[b]fluoren-11-one
CID 153239410
[4-[4-[2,3,5,6-Tetrafluoro-4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]benzoyl]phenoxy]phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone
CID 23526001
2-Ethoxy-7-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-1,8-difluorofluoren-9-one
CID 23545252
5-(4-Methoxyphenyl)-1-[7-[5-(4-methoxyphenyl)penta-2,4-dienoyl]-9,9-bis[4-(1,2,2-trifluoroethenoxy)phenyl]fluoren-2-yl]penta-2,4-dien-1-one
CID 53634050
1-[9,9-Bis[4-(1,2,2-trifluoroethenoxy)phenyl]fluoren-2-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 53660156
1-[4-[4-Acetyl-2-(trifluoromethyl)phenyl]-3-methylphenyl]ethanone;4-methoxy-1-(4-methoxy-2-methylphenyl)-2-(trifluoromethyl)benzene
CID 53766427
1-[9,9-Bis[4-(1,2,2-trifluoroethenoxy)phenyl]fluoren-2-yl]-5-(4-methoxyphenyl)penta-2,4-dien-1-one
CID 53973178
1-[9,9-Bis[4-(1,2,2-trifluoroethenoxy)phenyl]fluoren-2-yl]-3-(2-methoxyphenyl)prop-2-en-1-one
CID 54203395

Frequently Asked Questions

What is the IUPAC name of 7-[3,5-bis(trifluoromethyl)phenyl]-2-(trifluoromethyl)-2,3-dihydroinden-1-one;2,6-dimethyl-7-phenyl-2,3-dihydroinden-1-one;4-methoxy-2-methyl-7-phenyl-2,3-dihydroinden-1-one;7-(4-methoxyphenyl)-2-(trifluoromethyl)-2,3-dihydroinden-1-one?
The IUPAC name of 7-[3,5-bis(trifluoromethyl)phenyl]-2-(trifluoromethyl)-2,3-dihydroinden-1-one;2,6-dimethyl-7-phenyl-2,3-dihydroinden-1-one;4-methoxy-2-methyl-7-phenyl-2,3-dihydroinden-1-one;7-(4-methoxyphenyl)-2-(trifluoromethyl)-2,3-dihydroinden-1-one (CID 157154982) is 7-[3,5-bis(trifluoromethyl)phenyl]-2-(trifluoromethyl)-2,3-dihydroinden-1-one;2,6-dimethyl-7-phenyl-2,3-dihydroinden-1-one;4-methoxy-2-methyl-7-phenyl-2,3-dihydroinden-1-one;7-(4-methoxyphenyl)-2-(trifluoromethyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 7-[3,5-bis(trifluoromethyl)phenyl]-2-(trifluoromethyl)-2,3-dihydroinden-1-one;2,6-dimethyl-7-phenyl-2,3-dihydroinden-1-one;4-methoxy-2-methyl-7-phenyl-2,3-dihydroinden-1-one;7-(4-methoxyphenyl)-2-(trifluoromethyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 7-[3,5-bis(trifluoromethyl)phenyl]-2-(trifluoromethyl)-2,3-dihydroinden-1-one;2,6-dimethyl-7-phenyl-2,3-dihydroinden-1-one;4-methoxy-2-methyl-7-phenyl-2,3-dihydroinden-1-one;7-(4-methoxyphenyl)-2-(trifluoromethyl)-2,3-dihydroinden-1-one is COc1ccc(-c2cccc3c2C(=O)C(C(F)(F)F)C3)cc1.COc1ccc(-c2ccccc2)c2c1CC(C)C2=O.Cc1ccc2c(c1-c1ccccc1)C(=O)C(C)C2.O=C1c2c(cccc2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1C(F)(F)F.
What is the InChIKey of 7-[3,5-bis(trifluoromethyl)phenyl]-2-(trifluoromethyl)-2,3-dihydroinden-1-one;2,6-dimethyl-7-phenyl-2,3-dihydroinden-1-one;4-methoxy-2-methyl-7-phenyl-2,3-dihydroinden-1-one;7-(4-methoxyphenyl)-2-(trifluoromethyl)-2,3-dihydroinden-1-one?
The InChIKey is ALRXRHJONDXTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9F9O.C17H13F3O2.C17H16O2.C17H16O/c19-16(20,21)10-4-9(5-11(7-10)17(22,23)24)12-3-1-2-8-6-13(18(25,26)27)15(28)14(8)12;1-22-12-7-5-10(6-8-12)13-4-2-3-11-9-14(17(18,19)20)16(21)15(11)13;1-11-10-14-15(19-2)9-8-13(16(14)17(11)18)12-6-4-3-5-7-12;1-11-8-9-14-10-12(2)17(18)16(14)15(11)13-6-4-3-5-7-13/h1-5,7,13H,6H2;2-8,14H,9H2,1H3;3-9,11H,10H2,1-2H3;3-9,12H,10H2,1-2H3.
What are the key properties of 7-[3,5-bis(trifluoromethyl)phenyl]-2-(trifluoromethyl)-2,3-dihydroinden-1-one;2,6-dimethyl-7-phenyl-2,3-dihydroinden-1-one;4-methoxy-2-methyl-7-phenyl-2,3-dihydroinden-1-one;7-(4-methoxyphenyl)-2-(trifluoromethyl)-2,3-dihydroinden-1-one?
7-[3,5-bis(trifluoromethyl)phenyl]-2-(trifluoromethyl)-2,3-dihydroinden-1-one;2,6-dimethyl-7-phenyl-2,3-dihydroinden-1-one;4-methoxy-2-methyl-7-phenyl-2,3-dihydroinden-1-one;7-(4-methoxyphenyl)-2-(trifluoromethyl)-2,3-dihydroinden-1-one has a molecular weight of 1207.16 g/mol, XLogP of 18.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3,5-bis(trifluoromethyl)phenyl]-2-(trifluoromethyl)-2,3-dihydroinden-1-one;2,6-dimethyl-7-phenyl-2,3-dihydroinden-1-one;4-methoxy-2-methyl-7-phenyl-2,3-dihydroinden-1-one;7-(4-methoxyphenyl)-2-(trifluoromethyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 157154982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).