1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1H-benzimidazole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-2,1,3-benzothiadiazole;4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,4-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyridine;3,6-di(propan-2-yl)-1H-pyridin-2-one;5,8-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;4,7-di(propan-2-yl)-[1,2]thiazolo[4,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;bis(2-methylpropane);5-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene

C176H256N10O3S3 — CID 159158777

IUPAC1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1H-benzimidazole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-2,1,3-benzothiadiazole;4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,4-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyridine;3,6-di(propan-2-yl)-1H-pyridin-2-one;5,8-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;4,7-di(propan-2-yl)-[1,2]thiazolo[4,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;bis(2-methylpropane);5-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)C.CC(C)C.CC(C)c1ccc(C(C)C)c(=O)[nH]1.CC(C)c1ccc(C(C)C)c2[nH]cnc12.CC(C)c1ccc(C(C)C)c2c1CCC2.CC(C)c1ccc(C(C)C)c2c1CCCC2.CC(C)c1ccc(C(C)C)c2c1OCO2.CC(C)c1ccc(C(C)C)c2ccccc12.CC(C)c1ccc(C(C)C)c2nsnc12.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCCC2.CC(C)c1cnc(C(C)C)c2scnc12.CC(C)c1ncc(C(C)C)c2nscc12
InChIInChI=1S/C16H24.C16H20.C15H22.C13H18N2.C13H18O2.C13H18.3C12H16N2S.C12H16.C12H18.C11H17NO.C11H17N.2C4H10/c2*1-11(2)13-9-10-14(12(3)4)16-8-6-5-7-15(13)16;1-10(2)12-8-9-13(11(3)4)15-7-5-6-14(12)15;2*1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-7(2)9-5-13-10(8(3)4)12-11(9)14-6-15-12;1-7(2)9-5-13-11(8(3)4)10-6-15-14-12(9)10;1-7(2)9-5-6-10(8(3)4)12-11(9)13-15-14-12;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)9-5-6-10(8(3)4)12-11(9)13;1-8(2)10-5-6-11(9(3)4)12-7-10;2*1-4(2)3/h9-12H,5-8H2,1-4H3;5-12H,1-4H3;8-11H,5-7H2,1-4H3;5-9H,1-4H3,(H,14,15);5-6,8-9H,7H2,1-4H3;7-10H,3-6H2,1-2H3;3*5-8H,1-4H3;6-9H,3-5H2,1-2H3;5-10H,1-4H3;5-8H,1-4H3,(H,12,13);5-9H,1-4H3;2*4H,1-3H3
InChIKeyKKFQGNDBQSTPHI-UHFFFAOYSA-N
MW2656.25 g/mol
LogP53.80
Rot. Bonds24

About 1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1H-benzimidazole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-2,1,3-benzothiadiazole;4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,4-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyridine;3,6-di(propan-2-yl)-1H-pyridin-2-one;5,8-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;4,7-di(propan-2-yl)-[1,2]thiazolo[4,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;bis(2-methylpropane);5-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene

1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1H-benzimidazole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-2,1,3-benzothiadiazole;4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,4-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyridine;3,6-di(propan-2-yl)-1H-pyridin-2-one;5,8-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;4,7-di(propan-2-yl)-[1,2]thiazolo[4,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;bis(2-methylpropane);5-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene (PubChem CID 159158777) has the molecular formula C176H256N10O3S3 and a molecular weight of 2656.25 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1H-benzimidazole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-2,1,3-benzothiadiazole;4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,4-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyridine;3,6-di(propan-2-yl)-1H-pyridin-2-one;5,8-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;4,7-di(propan-2-yl)-[1,2]thiazolo[4,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;bis(2-methylpropane);5-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1H-benzimidazole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-2,1,3-benzothiadiazole;4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,4-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyridine;3,6-di(propan-2-yl)-1H-pyridin-2-one;5,8-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;4,7-di(propan-2-yl)-[1,2]thiazolo[4,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;bis(2-methylpropane);5-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
PubChem CID159158777
Molecular FormulaC176H256N10O3S3
Molecular Weight2656.25 g/mol
Exact Mass2653.93
IUPAC Name1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1H-benzimidazole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-2,1,3-benzothiadiazole;4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,4-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyridine;3,6-di(propan-2-yl)-1H-pyridin-2-one;5,8-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;4,7-di(propan-2-yl)-[1,2]thiazolo[4,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;bis(2-methylpropane);5-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)C.CC(C)C.CC(C)c1ccc(C(C)C)c(=O)[nH]1.CC(C)c1ccc(C(C)C)c2[nH]cnc12.CC(C)c1ccc(C(C)C)c2c1CCC2.CC(C)c1ccc(C(C)C)c2c1CCCC2.CC(C)c1ccc(C(C)C)c2c1OCO2.CC(C)c1ccc(C(C)C)c2ccccc12.CC(C)c1ccc(C(C)C)c2nsnc12.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCCC2.CC(C)c1cnc(C(C)C)c2scnc12.CC(C)c1ncc(C(C)C)c2nscc12
InChIInChI=1S/C16H24.C16H20.C15H22.C13H18N2.C13H18O2.C13H18.3C12H16N2S.C12H16.C12H18.C11H17NO.C11H17N.2C4H10/c2*1-11(2)13-9-10-14(12(3)4)16-8-6-5-7-15(13)16;1-10(2)12-8-9-13(11(3)4)15-7-5-6-14(12)15;2*1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-7(2)9-5-13-10(8(3)4)12-11(9)14-6-15-12;1-7(2)9-5-13-11(8(3)4)10-6-15-14-12(9)10;1-7(2)9-5-6-10(8(3)4)12-11(9)13-15-14-12;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)9-5-6-10(8(3)4)12-11(9)13;1-8(2)10-5-6-11(9(3)4)12-7-10;2*1-4(2)3/h9-12H,5-8H2,1-4H3;5-12H,1-4H3;8-11H,5-7H2,1-4H3;5-9H,1-4H3,(H,14,15);5-6,8-9H,7H2,1-4H3;7-10H,3-6H2,1-2H3;3*5-8H,1-4H3;6-9H,3-5H2,1-2H3;5-10H,1-4H3;5-8H,1-4H3,(H,12,13);5-9H,1-4H3;2*4H,1-3H3
InChIKeyKKFQGNDBQSTPHI-UHFFFAOYSA-N
XLogP53.80
TPSA170.23 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds24
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002656.25
LogP ≤ 553.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1H-benzimidazole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-2,1,3-benzothiadiazole;4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,4-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyridine;3,6-di(propan-2-yl)-1H-pyridin-2-one;5,8-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;4,7-di(propan-2-yl)-[1,2]thiazolo[4,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;bis(2-methylpropane);5-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1H-benzimidazole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-2,1,3-benzothiadiazole;4,7-di(propan-2-yl)-2,1-benzothiazole;1,4-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexene;1,4-di(propan-2-yl)cyclopenta-1,3-diene;1,3-di(propan-2-yl)cyclopentane;4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,4-di(propan-2-yl)naphthalene;3,5-di(propan-2-yl)-4H-pyrazole;2,5-di(propan-2-yl)pyridine;3,6-di(propan-2-yl)-1H-pyridin-2-one;2,4-di(propan-2-yl)-3H-pyrrole;3,5-di(propan-2-yl)-2H-pyrrole;5,8-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;pentakis(2-methylpropane);5-propan-2-yl-2,3-dihydro-1H-indene;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indene;2-propan-2-yl-3H-indole;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 157101930
ethane;3-methyl-1H-benzimidazol-2-one;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indene;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;3-methyl-1H-quinolin-2-one
CID 157671941
methane;3-propan-2-yl-1H-benzimidazol-2-one;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-yl-2,3-dihydro-1H-indene;1-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;4-propan-2-ylquinoline;4-propan-2-ylthieno[3,2-d]pyrimidine
CID 157830930
ethane;3-methyl-1H-benzimidazol-2-one;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;5-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;7-methyl-9H-pyridazino[1,2-a]pyridazin-6-one;3-methyl-1H-quinolin-2-one
CID 158878004
1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1H-benzimidazole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-2,1,3-benzothiadiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-2,1-benzothiazole;1,4-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexene;4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,4-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyridine;3,6-di(propan-2-yl)-1H-pyridin-2-one;5,8-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;pentakis(2-methylpropane);5-propan-2-yl-2,3-dihydro-1H-indene;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indene;2-propan-2-yl-1H-indole;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 158909388
1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1H-benzimidazole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-2,1,3-benzothiadiazole;1,4-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexene;4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,4-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyridine;3,6-di(propan-2-yl)-1H-pyridin-2-one;5,8-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;methane;pentakis(2-methylpropane);5-propan-2-yl-2,3-dihydro-1H-indene;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indene;2-propan-2-yl-3H-indole;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 158967193
ethane;3-methyl-1H-benzimidazol-2-one;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;5-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-indene;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;7-methyl-9H-pyridazino[1,2-a]pyridazin-6-one;3-methyl-1H-quinolin-2-one
CID 159093407
benzene;1H-benzimidazole;1,3-benzodioxole;1,3-benzothiazole;ethane;naphthalene;pyridine;pyrimidine;1,2,3,4-tetrahydroisoquinoline;1,3-thiazole
CID 159150350
3-propan-2-yl-1H-benzimidazol-2-one;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-yl-2,3-dihydro-1H-indene;1-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;4-propan-2-ylquinoline;4-propan-2-ylthieno[3,2-d]pyrimidine
CID 159470197
ethane;3-methyl-1H-benzimidazol-2-one;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;5-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-indene;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;3-methyl-1H-quinolin-2-one
CID 159579036
ethane;3-methyl-1H-benzimidazol-2-one;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;5-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;3-methyl-1H-quinolin-2-one
CID 159599162
3-propan-2-yl-1H-benzimidazol-2-one;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-yl-2,3-dihydro-1H-indene;1-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;4-propan-2-ylthieno[3,2-d]pyrimidine
CID 159618228

Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1H-benzimidazole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-2,1,3-benzothiadiazole;4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,4-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyridine;3,6-di(propan-2-yl)-1H-pyridin-2-one;5,8-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;4,7-di(propan-2-yl)-[1,2]thiazolo[4,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;bis(2-methylpropane);5-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1H-benzimidazole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-2,1,3-benzothiadiazole;4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,4-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyridine;3,6-di(propan-2-yl)-1H-pyridin-2-one;5,8-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;4,7-di(propan-2-yl)-[1,2]thiazolo[4,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;bis(2-methylpropane);5-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene (CID 159158777) is 1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1H-benzimidazole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-2,1,3-benzothiadiazole;4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,4-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyridine;3,6-di(propan-2-yl)-1H-pyridin-2-one;5,8-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;4,7-di(propan-2-yl)-[1,2]thiazolo[4,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;bis(2-methylpropane);5-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1H-benzimidazole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-2,1,3-benzothiadiazole;4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,4-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyridine;3,6-di(propan-2-yl)-1H-pyridin-2-one;5,8-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;4,7-di(propan-2-yl)-[1,2]thiazolo[4,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;bis(2-methylpropane);5-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1H-benzimidazole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-2,1,3-benzothiadiazole;4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,4-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyridine;3,6-di(propan-2-yl)-1H-pyridin-2-one;5,8-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;4,7-di(propan-2-yl)-[1,2]thiazolo[4,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;bis(2-methylpropane);5-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene is CC(C)C.CC(C)C.CC(C)c1ccc(C(C)C)c(=O)[nH]1.CC(C)c1ccc(C(C)C)c2[nH]cnc12.CC(C)c1ccc(C(C)C)c2c1CCC2.CC(C)c1ccc(C(C)C)c2c1CCCC2.CC(C)c1ccc(C(C)C)c2c1OCO2.CC(C)c1ccc(C(C)C)c2ccccc12.CC(C)c1ccc(C(C)C)c2nsnc12.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCCC2.CC(C)c1cnc(C(C)C)c2scnc12.CC(C)c1ncc(C(C)C)c2nscc12.
What is the InChIKey of 1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1H-benzimidazole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-2,1,3-benzothiadiazole;4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,4-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyridine;3,6-di(propan-2-yl)-1H-pyridin-2-one;5,8-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;4,7-di(propan-2-yl)-[1,2]thiazolo[4,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;bis(2-methylpropane);5-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is KKFQGNDBQSTPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24.C16H20.C15H22.C13H18N2.C13H18O2.C13H18.3C12H16N2S.C12H16.C12H18.C11H17NO.C11H17N.2C4H10/c2*1-11(2)13-9-10-14(12(3)4)16-8-6-5-7-15(13)16;1-10(2)12-8-9-13(11(3)4)15-7-5-6-14(12)15;2*1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-7(2)9-5-13-10(8(3)4)12-11(9)14-6-15-12;1-7(2)9-5-13-11(8(3)4)10-6-15-14-12(9)10;1-7(2)9-5-6-10(8(3)4)12-11(9)13-15-14-12;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)9-5-6-10(8(3)4)12-11(9)13;1-8(2)10-5-6-11(9(3)4)12-7-10;2*1-4(2)3/h9-12H,5-8H2,1-4H3;5-12H,1-4H3;8-11H,5-7H2,1-4H3;5-9H,1-4H3,(H,14,15);5-6,8-9H,7H2,1-4H3;7-10H,3-6H2,1-2H3;3*5-8H,1-4H3;6-9H,3-5H2,1-2H3;5-10H,1-4H3;5-8H,1-4H3,(H,12,13);5-9H,1-4H3;2*4H,1-3H3.
What are the key properties of 1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1H-benzimidazole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-2,1,3-benzothiadiazole;4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,4-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyridine;3,6-di(propan-2-yl)-1H-pyridin-2-one;5,8-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;4,7-di(propan-2-yl)-[1,2]thiazolo[4,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;bis(2-methylpropane);5-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1H-benzimidazole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-2,1,3-benzothiadiazole;4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,4-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyridine;3,6-di(propan-2-yl)-1H-pyridin-2-one;5,8-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;4,7-di(propan-2-yl)-[1,2]thiazolo[4,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;bis(2-methylpropane);5-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 2656.25 g/mol, XLogP of 53.80, 24 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1H-benzimidazole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-2,1,3-benzothiadiazole;4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,4-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyridine;3,6-di(propan-2-yl)-1H-pyridin-2-one;5,8-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;4,7-di(propan-2-yl)-[1,2]thiazolo[4,3-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;bis(2-methylpropane);5-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 159158777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).