cumene;bis(1,4-dimethyl-2-propan-2-ylbenzene);bis(2,4-dimethyl-1-propan-2-ylbenzene);ethane;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylpyrazole);tetrakis(3-propan-2-ylpyridine);bis(5-propan-2-yl-1,3-thiazole);bis(1,1,1-trifluoroethane);1,2,4-trimethyl-5-propan-2-ylbenzene

C210H344F6N10S2 — CID 167636989

IUPACcumene;bis(1,4-dimethyl-2-propan-2-ylbenzene);bis(2,4-dimethyl-1-propan-2-ylbenzene);ethane;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylpyrazole);tetrakis(3-propan-2-ylpyridine);bis(5-propan-2-yl-1,3-thiazole);bis(1,1,1-trifluoroethane);1,2,4-trimethyl-5-propan-2-ylbenzene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cncs1.CC(C)c1cncs1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(F)(F)F.CC(F)(F)F.Cc1cc(C)c(C(C)C)cc1C.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C)c(C(C)C)c1.Cc1ccc(C)c(C(C)C)c1.Cc1ccccc1C(C)C
InChIInChI=1S/C12H18.4C11H16.C10H14.6C9H12.4C8H11N.2C7H12N2.2C6H9NS.2C2H3F3.14C2H6/c1-8(2)12-7-10(4)9(3)6-11(12)5;2*1-8(2)11-6-5-9(3)7-10(11)4;2*1-8(2)11-7-9(3)5-6-10(11)4;1-8(2)10-7-5-4-6-9(10)3;6*1-8(2)9-6-4-3-5-7-9;4*1-7(2)8-4-3-5-9-6-8;2*1-6(2)7-4-8-9(3)5-7;2*1-5(2)6-3-7-4-8-6;2*1-2(3,4)5;14*1-2/h6-8H,1-5H3;4*5-8H,1-4H3;4-8H,1-3H3;6*3-8H,1-2H3;4*3-7H,1-2H3;2*4-6H,1-3H3;2*3-5H,1-2H3;2*1H3;14*1-2H3
InChIKeyOPQNPUFUNFWJNI-UHFFFAOYSA-N
MW3187.25 g/mol
LogP71.37
Rot. Bonds20

About cumene;bis(1,4-dimethyl-2-propan-2-ylbenzene);bis(2,4-dimethyl-1-propan-2-ylbenzene);ethane;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylpyrazole);tetrakis(3-propan-2-ylpyridine);bis(5-propan-2-yl-1,3-thiazole);bis(1,1,1-trifluoroethane);1,2,4-trimethyl-5-propan-2-ylbenzene

cumene;bis(1,4-dimethyl-2-propan-2-ylbenzene);bis(2,4-dimethyl-1-propan-2-ylbenzene);ethane;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylpyrazole);tetrakis(3-propan-2-ylpyridine);bis(5-propan-2-yl-1,3-thiazole);bis(1,1,1-trifluoroethane);1,2,4-trimethyl-5-propan-2-ylbenzene (PubChem CID 167636989) has the molecular formula C210H344F6N10S2 and a molecular weight of 3187.25 g/mol. Its IUPAC name is cumene;bis(1,4-dimethyl-2-propan-2-ylbenzene);bis(2,4-dimethyl-1-propan-2-ylbenzene);ethane;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylpyrazole);tetrakis(3-propan-2-ylpyridine);bis(5-propan-2-yl-1,3-thiazole);bis(1,1,1-trifluoroethane);1,2,4-trimethyl-5-propan-2-ylbenzene.

Molecular Properties

Compound Namecumene;bis(1,4-dimethyl-2-propan-2-ylbenzene);bis(2,4-dimethyl-1-propan-2-ylbenzene);ethane;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylpyrazole);tetrakis(3-propan-2-ylpyridine);bis(5-propan-2-yl-1,3-thiazole);bis(1,1,1-trifluoroethane);1,2,4-trimethyl-5-propan-2-ylbenzene
PubChem CID167636989
Molecular FormulaC210H344F6N10S2
Molecular Weight3187.25 g/mol
Exact Mass3184.66
IUPAC Namecumene;bis(1,4-dimethyl-2-propan-2-ylbenzene);bis(2,4-dimethyl-1-propan-2-ylbenzene);ethane;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylpyrazole);tetrakis(3-propan-2-ylpyridine);bis(5-propan-2-yl-1,3-thiazole);bis(1,1,1-trifluoroethane);1,2,4-trimethyl-5-propan-2-ylbenzene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cncs1.CC(C)c1cncs1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(F)(F)F.CC(F)(F)F.Cc1cc(C)c(C(C)C)cc1C.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C)c(C(C)C)c1.Cc1ccc(C)c(C(C)C)c1.Cc1ccccc1C(C)C
InChIInChI=1S/C12H18.4C11H16.C10H14.6C9H12.4C8H11N.2C7H12N2.2C6H9NS.2C2H3F3.14C2H6/c1-8(2)12-7-10(4)9(3)6-11(12)5;2*1-8(2)11-6-5-9(3)7-10(11)4;2*1-8(2)11-7-9(3)5-6-10(11)4;1-8(2)10-7-5-4-6-9(10)3;6*1-8(2)9-6-4-3-5-7-9;4*1-7(2)8-4-3-5-9-6-8;2*1-6(2)7-4-8-9(3)5-7;2*1-5(2)6-3-7-4-8-6;2*1-2(3,4)5;14*1-2/h6-8H,1-5H3;4*5-8H,1-4H3;4-8H,1-3H3;6*3-8H,1-2H3;4*3-7H,1-2H3;2*4-6H,1-3H3;2*3-5H,1-2H3;2*1H3;14*1-2H3
InChIKeyOPQNPUFUNFWJNI-UHFFFAOYSA-N
XLogP71.37
TPSA112.98 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003187.25
LogP ≤ 571.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze cumene;bis(1,4-dimethyl-2-propan-2-ylbenzene);bis(2,4-dimethyl-1-propan-2-ylbenzene);ethane;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylpyrazole);tetrakis(3-propan-2-ylpyridine);bis(5-propan-2-yl-1,3-thiazole);bis(1,1,1-trifluoroethane);1,2,4-trimethyl-5-propan-2-ylbenzene with MolForge

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Related Compounds

1-(Difluoromethyl)-4-(4-propan-2-ylphenyl)pyrazole;1,3-dimethyl-4-(4-propan-2-ylphenyl)pyrazole;1-ethyl-4-(4-propan-2-ylphenyl)pyrazole;2-methyl-5-propan-2-ylindazole;1-methyl-4-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole;3-(4-propan-2-ylphenyl)benzonitrile;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole;1,3,5-trimethyl-4-(4-propan-2-ylphenyl)pyrazole
CID 158677852
2-[3-(4-Tert-butyl-1-methylpyridin-1-ium-2-yl)-2-methylphenyl]-3-methyl-1,3-thiazol-3-ium;2-[4,6-difluoro-2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-3-methyl-1,3-thiazol-3-ium;3-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-1,3-thiazol-3-ium;3-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)-5-(trifluoromethyl)phenyl]-1,3-thiazol-3-ium;3-methyl-2-[2,4,6-trimethyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-1,3-thiazol-3-ium
CID 159443307
2-[3-(4-Tert-butyl-1-methylpyridin-1-ium-2-yl)-4,6-difluoro-2-methylphenyl]-3-methyl-1,3-thiazol-3-ium;2-[3-(5-tert-butyl-1-methylpyridin-1-ium-2-yl)-2-methylphenyl]-3-methyl-1,3-thiazol-3-ium;2-[3-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-2-methyl-5-(trifluoromethyl)phenyl]-3-methyl-1,3-thiazol-3-ium;2-[3-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-2,4,6-trimethylphenyl]-3-methyl-1,3-thiazol-3-ium
CID 159812920
2-[3-(1,2-Dimethylpyrazol-1-ium-3-yl)-4,6-difluoro-2-methylphenyl]-1-methylpyridin-1-ium;2-[3-(1,2-dimethylpyrazol-1-ium-3-yl)-2-methylphenyl]-1-methylpyridin-1-ium;2-[3-(1,2-dimethylpyrazol-1-ium-3-yl)-2-methyl-5-(trifluoromethyl)phenyl]-1-methylpyridin-1-ium;2-[3-(1,2-dimethylpyrazol-1-ium-3-yl)-2,4,6-trimethylphenyl]-1-methylpyridin-1-ium
CID 160038520
2-[4,6-Difluoro-2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-3-methyl-1,3-benzothiazol-3-ium;3-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-1,3-benzothiazol-3-ium;3-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)-5-(trifluoromethyl)phenyl]-1,3-benzothiazol-3-ium;3-methyl-2-[2,4,6-trimethyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-1,3-benzothiazol-3-ium
CID 160178868
2-[4,6-Difluoro-2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-3-methyl-1,3-thiazol-3-ium;3-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-1,3-thiazol-3-ium;3-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)-5-(trifluoromethyl)phenyl]-1,3-thiazol-3-ium;3-methyl-2-[2,4,6-trimethyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-1,3-thiazol-3-ium
CID 160602958
2-[3-(4-Tert-butyl-1-methylpyridin-1-ium-2-yl)-4,6-difluoro-2-methylphenyl]-3-methyl-1,3-thiazol-3-ium;2-[3-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-2-methylphenyl]-3-methyl-1,3-thiazol-3-ium;2-[3-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-2-methyl-5-(trifluoromethyl)phenyl]-3-methyl-1,3-thiazol-3-ium;2-[3-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-2,4,6-trimethylphenyl]-3-methyl-1,3-thiazol-3-ium
CID 160656430
3-Methyl-2-(2-methylphenyl)-1,3-benzothiazol-3-ium;1-methyl-2-(2-methylphenyl)indazol-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;2-[2-methyl-4-(trifluoromethyl)phenyl]pyridine;2-[3-methyl-5-(trifluoromethyl)phenyl]pyridine
CID 161723356
2-[3-(5-Tert-butyl-1-methylpyridin-1-ium-2-yl)-4,6-difluoro-2-methylphenyl]-3-methyl-1,3-thiazol-3-ium;2-[3-(5-tert-butyl-1-methylpyridin-1-ium-2-yl)-2-methylphenyl]-3-methyl-1,3-thiazol-3-ium;2-[3-(5-tert-butyl-1-methylpyridin-1-ium-2-yl)-2-methyl-5-(trifluoromethyl)phenyl]-3-methyl-1,3-thiazol-3-ium;2-[3-(5-tert-butyl-1-methylpyridin-1-ium-2-yl)-2,4,6-trimethylphenyl]-3-methyl-1,3-thiazol-3-ium
CID 161756526
3-Methyl-2-(2-methylphenyl)-1,3-benzothiazol-3-ium;1-methyl-2-(2-methylphenyl)indazol-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;2-[2-methyl-4-(trifluoromethyl)phenyl]pyridine;2-[3-methyl-5-(trifluoromethyl)phenyl]pyridine;1,2,3,4,5-pentafluoro-6-(3-phenylphenyl)benzene
CID 161993582
4-Chloro-1-methyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1,3-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-ethyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-fluoro-2,5-dimethyl-4-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-methyl-2-propan-2-ylbenzene;2-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;3-propan-2-yl-2-(trifluoromethyl)pyridine
CID 167679680
1-Tert-butyl-2-propan-2-ylbenzene;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;2,3,4-tri(propan-2-yl)pyridine
CID 157062805

Frequently Asked Questions

What is the IUPAC name of cumene;bis(1,4-dimethyl-2-propan-2-ylbenzene);bis(2,4-dimethyl-1-propan-2-ylbenzene);ethane;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylpyrazole);tetrakis(3-propan-2-ylpyridine);bis(5-propan-2-yl-1,3-thiazole);bis(1,1,1-trifluoroethane);1,2,4-trimethyl-5-propan-2-ylbenzene?
The IUPAC name of cumene;bis(1,4-dimethyl-2-propan-2-ylbenzene);bis(2,4-dimethyl-1-propan-2-ylbenzene);ethane;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylpyrazole);tetrakis(3-propan-2-ylpyridine);bis(5-propan-2-yl-1,3-thiazole);bis(1,1,1-trifluoroethane);1,2,4-trimethyl-5-propan-2-ylbenzene (CID 167636989) is cumene;bis(1,4-dimethyl-2-propan-2-ylbenzene);bis(2,4-dimethyl-1-propan-2-ylbenzene);ethane;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylpyrazole);tetrakis(3-propan-2-ylpyridine);bis(5-propan-2-yl-1,3-thiazole);bis(1,1,1-trifluoroethane);1,2,4-trimethyl-5-propan-2-ylbenzene.
What is the SMILES notation for cumene;bis(1,4-dimethyl-2-propan-2-ylbenzene);bis(2,4-dimethyl-1-propan-2-ylbenzene);ethane;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylpyrazole);tetrakis(3-propan-2-ylpyridine);bis(5-propan-2-yl-1,3-thiazole);bis(1,1,1-trifluoroethane);1,2,4-trimethyl-5-propan-2-ylbenzene?
The canonical SMILES for cumene;bis(1,4-dimethyl-2-propan-2-ylbenzene);bis(2,4-dimethyl-1-propan-2-ylbenzene);ethane;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylpyrazole);tetrakis(3-propan-2-ylpyridine);bis(5-propan-2-yl-1,3-thiazole);bis(1,1,1-trifluoroethane);1,2,4-trimethyl-5-propan-2-ylbenzene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cncs1.CC(C)c1cncs1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(F)(F)F.CC(F)(F)F.Cc1cc(C)c(C(C)C)cc1C.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C)c(C(C)C)c1.Cc1ccc(C)c(C(C)C)c1.Cc1ccccc1C(C)C.
What is the InChIKey of cumene;bis(1,4-dimethyl-2-propan-2-ylbenzene);bis(2,4-dimethyl-1-propan-2-ylbenzene);ethane;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylpyrazole);tetrakis(3-propan-2-ylpyridine);bis(5-propan-2-yl-1,3-thiazole);bis(1,1,1-trifluoroethane);1,2,4-trimethyl-5-propan-2-ylbenzene?
The InChIKey is OPQNPUFUNFWJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.4C11H16.C10H14.6C9H12.4C8H11N.2C7H12N2.2C6H9NS.2C2H3F3.14C2H6/c1-8(2)12-7-10(4)9(3)6-11(12)5;2*1-8(2)11-6-5-9(3)7-10(11)4;2*1-8(2)11-7-9(3)5-6-10(11)4;1-8(2)10-7-5-4-6-9(10)3;6*1-8(2)9-6-4-3-5-7-9;4*1-7(2)8-4-3-5-9-6-8;2*1-6(2)7-4-8-9(3)5-7;2*1-5(2)6-3-7-4-8-6;2*1-2(3,4)5;14*1-2/h6-8H,1-5H3;4*5-8H,1-4H3;4-8H,1-3H3;6*3-8H,1-2H3;4*3-7H,1-2H3;2*4-6H,1-3H3;2*3-5H,1-2H3;2*1H3;14*1-2H3.
What are the key properties of cumene;bis(1,4-dimethyl-2-propan-2-ylbenzene);bis(2,4-dimethyl-1-propan-2-ylbenzene);ethane;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylpyrazole);tetrakis(3-propan-2-ylpyridine);bis(5-propan-2-yl-1,3-thiazole);bis(1,1,1-trifluoroethane);1,2,4-trimethyl-5-propan-2-ylbenzene?
cumene;bis(1,4-dimethyl-2-propan-2-ylbenzene);bis(2,4-dimethyl-1-propan-2-ylbenzene);ethane;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylpyrazole);tetrakis(3-propan-2-ylpyridine);bis(5-propan-2-yl-1,3-thiazole);bis(1,1,1-trifluoroethane);1,2,4-trimethyl-5-propan-2-ylbenzene has a molecular weight of 3187.25 g/mol, XLogP of 71.37, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;bis(1,4-dimethyl-2-propan-2-ylbenzene);bis(2,4-dimethyl-1-propan-2-ylbenzene);ethane;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylpyrazole);tetrakis(3-propan-2-ylpyridine);bis(5-propan-2-yl-1,3-thiazole);bis(1,1,1-trifluoroethane);1,2,4-trimethyl-5-propan-2-ylbenzene is sourced from PubChem (CID 167636989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).