1-chloro-2-methyl-3,5-di(propan-2-yl)benzene;bis(1,2-dimethyl-4-propan-2-ylbenzene);2,3-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-5-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1-(trifluoromethyl)benzene;1,2,4-trimethyl-5-propan-2-ylbenzene

C93H142ClF3N2 — CID 167664690

IUPAC1-chloro-2-methyl-3,5-di(propan-2-yl)benzene;bis(1,2-dimethyl-4-propan-2-ylbenzene);2,3-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-5-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1-(trifluoromethyl)benzene;1,2,4-trimethyl-5-propan-2-ylbenzene
SMILESC.C.C.Cc1c(Cl)cc(C(C)C)cc1C(C)C.Cc1cc(C(C)C)ccc1C(F)(F)F.Cc1cc(C)c(C(C)C)cc1C.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)cc1C(C)C.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nc1C
InChIInChI=1S/C13H19Cl.C13H20.C12H18.C11H13F3.2C11H16.C10H15N.C9H13N.3CH4/c1-8(2)11-6-12(9(3)4)10(5)13(14)7-11;1-9(2)12-7-6-11(5)13(8-12)10(3)4;1-8(2)12-7-10(4)9(3)6-11(12)5;1-7(2)9-4-5-10(8(3)6-9)11(12,13)14;2*1-8(2)11-6-5-9(3)10(4)7-11;1-7(2)10-6-5-8(3)9(4)11-10;1-7(2)9-5-4-8(3)10-6-9;;;/h6-9H,1-5H3;6-10H,1-5H3;6-8H,1-5H3;4-7H,1-3H3;2*5-8H,1-4H3;5-7H,1-4H3;4-7H,1-3H3;3*1H4
InChIKeySLLVNSFGXVLENN-UHFFFAOYSA-N
MW1380.62 g/mol
LogP31.11
Rot. Bonds10

About 1-chloro-2-methyl-3,5-di(propan-2-yl)benzene;bis(1,2-dimethyl-4-propan-2-ylbenzene);2,3-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-5-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1-(trifluoromethyl)benzene;1,2,4-trimethyl-5-propan-2-ylbenzene

1-chloro-2-methyl-3,5-di(propan-2-yl)benzene;bis(1,2-dimethyl-4-propan-2-ylbenzene);2,3-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-5-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1-(trifluoromethyl)benzene;1,2,4-trimethyl-5-propan-2-ylbenzene (PubChem CID 167664690) has the molecular formula C93H142ClF3N2 and a molecular weight of 1380.62 g/mol. Its IUPAC name is 1-chloro-2-methyl-3,5-di(propan-2-yl)benzene;bis(1,2-dimethyl-4-propan-2-ylbenzene);2,3-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-5-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1-(trifluoromethyl)benzene;1,2,4-trimethyl-5-propan-2-ylbenzene.

Molecular Properties

Compound Name1-chloro-2-methyl-3,5-di(propan-2-yl)benzene;bis(1,2-dimethyl-4-propan-2-ylbenzene);2,3-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-5-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1-(trifluoromethyl)benzene;1,2,4-trimethyl-5-propan-2-ylbenzene
PubChem CID167664690
Molecular FormulaC93H142ClF3N2
Molecular Weight1380.62 g/mol
Exact Mass1379.08
IUPAC Name1-chloro-2-methyl-3,5-di(propan-2-yl)benzene;bis(1,2-dimethyl-4-propan-2-ylbenzene);2,3-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-5-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1-(trifluoromethyl)benzene;1,2,4-trimethyl-5-propan-2-ylbenzene
SMILESC.C.C.Cc1c(Cl)cc(C(C)C)cc1C(C)C.Cc1cc(C(C)C)ccc1C(F)(F)F.Cc1cc(C)c(C(C)C)cc1C.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)cc1C(C)C.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nc1C
InChIInChI=1S/C13H19Cl.C13H20.C12H18.C11H13F3.2C11H16.C10H15N.C9H13N.3CH4/c1-8(2)11-6-12(9(3)4)10(5)13(14)7-11;1-9(2)12-7-6-11(5)13(8-12)10(3)4;1-8(2)12-7-10(4)9(3)6-11(12)5;1-7(2)9-4-5-10(8(3)6-9)11(12,13)14;2*1-8(2)11-6-5-9(3)10(4)7-11;1-7(2)10-6-5-8(3)9(4)11-10;1-7(2)9-5-4-8(3)10-6-9;;;/h6-9H,1-5H3;6-10H,1-5H3;6-8H,1-5H3;4-7H,1-3H3;2*5-8H,1-4H3;5-7H,1-4H3;4-7H,1-3H3;3*1H4
InChIKeySLLVNSFGXVLENN-UHFFFAOYSA-N
XLogP31.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001380.62
LogP ≤ 531.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-chloro-2-methyl-3,5-di(propan-2-yl)benzene;bis(1,2-dimethyl-4-propan-2-ylbenzene);2,3-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-5-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1-(trifluoromethyl)benzene;1,2,4-trimethyl-5-propan-2-ylbenzene with MolForge

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Related Compounds

2-(2-Chlorophenyl)-3-(2,2-dipyridin-3-ylethyl)pyridine
CID 66829616
2-(3-Chlorophenyl)-3-(2,2-dipyridin-3-ylethyl)pyridine
CID 66829709
2-Chloro-3-[2-[2-(2-chlorophenyl)-3-pyridinyl]-1-pyridin-3-ylethyl]pyridine
CID 137657930
13-Chloro-2-[1-[(3-methylphenyl)methyl]piperidin-4-ylidene]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 155527187
3-[3-Chloro-2-(2,2-dipyridin-3-ylethyl)phenyl]benzonitrile
CID 66829716
3-[1-[3-chloro-5-[(E)-2-(4-pyridin-4-ylphenyl)ethenyl]phenyl]-2-methylprop-1-enyl]pyridine
CID 122451518
4,4'-(4''-(tert-Butyl)-4-chloro-6'-phenyl-5'-(4-(trifluoromethyl)phenyl)-[1,1':2',1''-terphenyl]-3',4'-diyl)dipyridine
CID 86341907
2,2'-(4,4'-Bis(trifluoromethyl)-[1,1'-biphenyl]-2,2'-diyl)dipyridine
CID 101422913
2-[2-[2-Pyridin-2-yl-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]pyridine
CID 102287598
[Ag(2,5-Mes2py)2]OTf
CID 139135968
[Cu(2,5-Mes2py)2]OTf
CID 139135969
2-(4,4'-Di-tert-butyl-2'-(5-chloro-3-fluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-fluoro-4-methylpyridine
CID 155908890

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methyl-3,5-di(propan-2-yl)benzene;bis(1,2-dimethyl-4-propan-2-ylbenzene);2,3-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-5-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1-(trifluoromethyl)benzene;1,2,4-trimethyl-5-propan-2-ylbenzene?
The IUPAC name of 1-chloro-2-methyl-3,5-di(propan-2-yl)benzene;bis(1,2-dimethyl-4-propan-2-ylbenzene);2,3-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-5-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1-(trifluoromethyl)benzene;1,2,4-trimethyl-5-propan-2-ylbenzene (CID 167664690) is 1-chloro-2-methyl-3,5-di(propan-2-yl)benzene;bis(1,2-dimethyl-4-propan-2-ylbenzene);2,3-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-5-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1-(trifluoromethyl)benzene;1,2,4-trimethyl-5-propan-2-ylbenzene.
What is the SMILES notation for 1-chloro-2-methyl-3,5-di(propan-2-yl)benzene;bis(1,2-dimethyl-4-propan-2-ylbenzene);2,3-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-5-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1-(trifluoromethyl)benzene;1,2,4-trimethyl-5-propan-2-ylbenzene?
The canonical SMILES for 1-chloro-2-methyl-3,5-di(propan-2-yl)benzene;bis(1,2-dimethyl-4-propan-2-ylbenzene);2,3-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-5-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1-(trifluoromethyl)benzene;1,2,4-trimethyl-5-propan-2-ylbenzene is C.C.C.Cc1c(Cl)cc(C(C)C)cc1C(C)C.Cc1cc(C(C)C)ccc1C(F)(F)F.Cc1cc(C)c(C(C)C)cc1C.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)cc1C(C)C.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nc1C.
What is the InChIKey of 1-chloro-2-methyl-3,5-di(propan-2-yl)benzene;bis(1,2-dimethyl-4-propan-2-ylbenzene);2,3-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-5-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1-(trifluoromethyl)benzene;1,2,4-trimethyl-5-propan-2-ylbenzene?
The InChIKey is SLLVNSFGXVLENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl.C13H20.C12H18.C11H13F3.2C11H16.C10H15N.C9H13N.3CH4/c1-8(2)11-6-12(9(3)4)10(5)13(14)7-11;1-9(2)12-7-6-11(5)13(8-12)10(3)4;1-8(2)12-7-10(4)9(3)6-11(12)5;1-7(2)9-4-5-10(8(3)6-9)11(12,13)14;2*1-8(2)11-6-5-9(3)10(4)7-11;1-7(2)10-6-5-8(3)9(4)11-10;1-7(2)9-5-4-8(3)10-6-9;;;/h6-9H,1-5H3;6-10H,1-5H3;6-8H,1-5H3;4-7H,1-3H3;2*5-8H,1-4H3;5-7H,1-4H3;4-7H,1-3H3;3*1H4.
What are the key properties of 1-chloro-2-methyl-3,5-di(propan-2-yl)benzene;bis(1,2-dimethyl-4-propan-2-ylbenzene);2,3-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-5-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1-(trifluoromethyl)benzene;1,2,4-trimethyl-5-propan-2-ylbenzene?
1-chloro-2-methyl-3,5-di(propan-2-yl)benzene;bis(1,2-dimethyl-4-propan-2-ylbenzene);2,3-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-5-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1-(trifluoromethyl)benzene;1,2,4-trimethyl-5-propan-2-ylbenzene has a molecular weight of 1380.62 g/mol, XLogP of 31.11, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methyl-3,5-di(propan-2-yl)benzene;bis(1,2-dimethyl-4-propan-2-ylbenzene);2,3-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-5-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1-(trifluoromethyl)benzene;1,2,4-trimethyl-5-propan-2-ylbenzene is sourced from PubChem (CID 167664690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).