1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1H-benzimidazole;4,7-di(propan-2-yl)-2H-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)-2,1,3-benzoxadiazole;1,5-di(propan-2-yl)-2,3-dihydro-1H-indene;4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;5,8-di(propan-2-yl)imidazo[1,2-c]pyrimidine;1,5-di(propan-2-yl)indole;bis(4,7-di(propan-2-yl)-2H-indole);1,4-di(propan-2-yl)naphthalene;bis(2,5-di(propan-2-yl)pyridine);bis(3,6-di(propan-2-yl)-1H-pyridin-2-one);2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene

C235H334N18O5S — CID 160666537

IUPAC1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1H-benzimidazole;4,7-di(propan-2-yl)-2H-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)-2,1,3-benzoxadiazole;1,5-di(propan-2-yl)-2,3-dihydro-1H-indene;4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;5,8-di(propan-2-yl)imidazo[1,2-c]pyrimidine;1,5-di(propan-2-yl)indole;bis(4,7-di(propan-2-yl)-2H-indole);1,4-di(propan-2-yl)naphthalene;bis(2,5-di(propan-2-yl)pyridine);bis(3,6-di(propan-2-yl)-1H-pyridin-2-one);2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)c1ccc(C(C)C)c(=O)[nH]1.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)c2c1=CCN=2.CC(C)c1ccc(C(C)C)c2c1=CCN=2.CC(C)c1ccc(C(C)C)c2c1=NCN=2.CC(C)c1ccc(C(C)C)c2c1CCC2.CC(C)c1ccc(C(C)C)c2c1OCO2.CC(C)c1ccc(C(C)C)c2ccccc12.CC(C)c1ccc(C(C)C)c2nonc12.CC(C)c1ccc(C(C)C)c2nsnc12.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc2c(c1)CCC(C(C)C)C2.CC(C)c1ccc2c(c1)CCC2C(C)C.CC(C)c1ccc2c(ccn2C(C)C)c1.CC(C)c1cnc(C(C)C)n2ccnc12
InChIInChI=1S/C16H24.C16H20.2C15H22.3C14H19N.2C13H18N2.C13H18O2.C12H17N3.C12H16N2O.C12H16N2S.C12H18.2C11H17NO.2C11H17N/c1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13;1-11(2)13-9-10-14(12(3)4)16-8-6-5-7-15(13)16;1-10(2)12-5-8-15-13(9-12)6-7-14(15)11(3)4;1-10(2)12-8-9-13(11(3)4)15-7-5-6-14(12)15;1-10(2)12-5-6-14-13(9-12)7-8-15(14)11(3)4;2*1-9(2)11-5-6-12(10(3)4)14-13(11)7-8-15-14;3*1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13;1-8(2)10-7-14-11(9(3)4)15-6-5-13-12(10)15;2*1-7(2)9-5-6-10(8(3)4)12-11(9)13-15-14-12;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-7(2)9-5-6-10(8(3)4)12-11(9)13;2*1-8(2)10-5-6-11(9(3)4)12-7-10/h5,7,9,11-12,14H,6,8,10H2,1-4H3;5-12H,1-4H3;5,8-11,14H,6-7H2,1-4H3;8-11H,5-7H2,1-4H3;5-11H,1-4H3;2*5-7,9-10H,8H2,1-4H3;5-6,8-9H,7H2,1-4H3;5-9H,1-4H3,(H,14,15);5-6,8-9H,7H2,1-4H3;5-9H,1-4H3;2*5-8H,1-4H3;5-10H,1-4H3;2*5-8H,1-4H3,(H,12,13);2*5-9H,1-4H3
InChIKeyRMJKNTIPERRSAD-UHFFFAOYSA-N
MW3523.44 g/mol
LogP63.45
Rot. Bonds36

About 1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1H-benzimidazole;4,7-di(propan-2-yl)-2H-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)-2,1,3-benzoxadiazole;1,5-di(propan-2-yl)-2,3-dihydro-1H-indene;4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;5,8-di(propan-2-yl)imidazo[1,2-c]pyrimidine;1,5-di(propan-2-yl)indole;bis(4,7-di(propan-2-yl)-2H-indole);1,4-di(propan-2-yl)naphthalene;bis(2,5-di(propan-2-yl)pyridine);bis(3,6-di(propan-2-yl)-1H-pyridin-2-one);2,6-di(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)-2H-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)-2,1,3-benzoxadiazole;1,5-di(propan-2-yl)-2,3-dihydro-1H-indene;4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;5,8-di(propan-2-yl)imidazo[1,2-c]pyrimidine;1,5-di(propan-2-yl)indole;bis(4,7-di(propan-2-yl)-2H-indole);1,4-di(propan-2-yl)naphthalene;bis(2,5-di(propan-2-yl)pyridine);bis(3,6-di(propan-2-yl)-1H-pyridin-2-one);2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 160666537) has the molecular formula C235H334N18O5S and a molecular weight of 3523.44 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)-2H-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)-2,1,3-benzoxadiazole;1,5-di(propan-2-yl)-2,3-dihydro-1H-indene;4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;5,8-di(propan-2-yl)imidazo[1,2-c]pyrimidine;1,5-di(propan-2-yl)indole;bis(4,7-di(propan-2-yl)-2H-indole);1,4-di(propan-2-yl)naphthalene;bis(2,5-di(propan-2-yl)pyridine);bis(3,6-di(propan-2-yl)-1H-pyridin-2-one);2,6-di(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)-2H-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)-2,1,3-benzoxadiazole;1,5-di(propan-2-yl)-2,3-dihydro-1H-indene;4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;5,8-di(propan-2-yl)imidazo[1,2-c]pyrimidine;1,5-di(propan-2-yl)indole;bis(4,7-di(propan-2-yl)-2H-indole);1,4-di(propan-2-yl)naphthalene;bis(2,5-di(propan-2-yl)pyridine);bis(3,6-di(propan-2-yl)-1H-pyridin-2-one);2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
PubChem CID160666537
Molecular FormulaC235H334N18O5S
Molecular Weight3523.44 g/mol
Exact Mass3520.62
IUPAC Name1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1H-benzimidazole;4,7-di(propan-2-yl)-2H-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)-2,1,3-benzoxadiazole;1,5-di(propan-2-yl)-2,3-dihydro-1H-indene;4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;5,8-di(propan-2-yl)imidazo[1,2-c]pyrimidine;1,5-di(propan-2-yl)indole;bis(4,7-di(propan-2-yl)-2H-indole);1,4-di(propan-2-yl)naphthalene;bis(2,5-di(propan-2-yl)pyridine);bis(3,6-di(propan-2-yl)-1H-pyridin-2-one);2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)c1ccc(C(C)C)c(=O)[nH]1.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)c2c1=CCN=2.CC(C)c1ccc(C(C)C)c2c1=CCN=2.CC(C)c1ccc(C(C)C)c2c1=NCN=2.CC(C)c1ccc(C(C)C)c2c1CCC2.CC(C)c1ccc(C(C)C)c2c1OCO2.CC(C)c1ccc(C(C)C)c2ccccc12.CC(C)c1ccc(C(C)C)c2nonc12.CC(C)c1ccc(C(C)C)c2nsnc12.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc2c(c1)CCC(C(C)C)C2.CC(C)c1ccc2c(c1)CCC2C(C)C.CC(C)c1ccc2c(ccn2C(C)C)c1.CC(C)c1cnc(C(C)C)n2ccnc12
InChIInChI=1S/C16H24.C16H20.2C15H22.3C14H19N.2C13H18N2.C13H18O2.C12H17N3.C12H16N2O.C12H16N2S.C12H18.2C11H17NO.2C11H17N/c1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13;1-11(2)13-9-10-14(12(3)4)16-8-6-5-7-15(13)16;1-10(2)12-5-8-15-13(9-12)6-7-14(15)11(3)4;1-10(2)12-8-9-13(11(3)4)15-7-5-6-14(12)15;1-10(2)12-5-6-14-13(9-12)7-8-15(14)11(3)4;2*1-9(2)11-5-6-12(10(3)4)14-13(11)7-8-15-14;3*1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13;1-8(2)10-7-14-11(9(3)4)15-6-5-13-12(10)15;2*1-7(2)9-5-6-10(8(3)4)12-11(9)13-15-14-12;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-7(2)9-5-6-10(8(3)4)12-11(9)13;2*1-8(2)10-5-6-11(9(3)4)12-7-10/h5,7,9,11-12,14H,6,8,10H2,1-4H3;5-12H,1-4H3;5,8-11,14H,6-7H2,1-4H3;8-11H,5-7H2,1-4H3;5-11H,1-4H3;2*5-7,9-10H,8H2,1-4H3;5-6,8-9H,7H2,1-4H3;5-9H,1-4H3,(H,14,15);5-6,8-9H,7H2,1-4H3;5-9H,1-4H3;2*5-8H,1-4H3;5-10H,1-4H3;2*5-8H,1-4H3,(H,12,13);2*5-9H,1-4H3
InChIKeyRMJKNTIPERRSAD-UHFFFAOYSA-N
XLogP63.45
TPSA287.90 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds36
Heavy Atoms259
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003523.44
LogP ≤ 563.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Analyze 1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1H-benzimidazole;4,7-di(propan-2-yl)-2H-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)-2,1,3-benzoxadiazole;1,5-di(propan-2-yl)-2,3-dihydro-1H-indene;4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;5,8-di(propan-2-yl)imidazo[1,2-c]pyrimidine;1,5-di(propan-2-yl)indole;bis(4,7-di(propan-2-yl)-2H-indole);1,4-di(propan-2-yl)naphthalene;bis(2,5-di(propan-2-yl)pyridine);bis(3,6-di(propan-2-yl)-1H-pyridin-2-one);2,6-di(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

bis(2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole);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;bis(2,5-di(propan-2-yl)pyridine);bis(3,6-di(propan-2-yl)-1H-pyridin-2-one)
CID 159002956
2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;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;bis(2,5-di(propan-2-yl)pyridine);bis(3,6-di(propan-2-yl)-1H-pyridin-2-one)
CID 161810647
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
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
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
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;bis(2-methylpropane);5-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 160077636
4-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;5-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-1-methylbenzimidazole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;5-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline;8-tert-butylquinazoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline;methane
CID 160646058
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;1,4-di(propan-2-yl)cyclopenta-1,3-diene;4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,3-di(propan-2-yl)imidazolidine;1,3-di(propan-2-yl)imidazolidin-2-one;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 161010418
CID 161907213
CID 161907213
4-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;5-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-1-methylbenzimidazole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;5-tert-butylquinazoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline
CID 162095911

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)-2H-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)-2,1,3-benzoxadiazole;1,5-di(propan-2-yl)-2,3-dihydro-1H-indene;4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;5,8-di(propan-2-yl)imidazo[1,2-c]pyrimidine;1,5-di(propan-2-yl)indole;bis(4,7-di(propan-2-yl)-2H-indole);1,4-di(propan-2-yl)naphthalene;bis(2,5-di(propan-2-yl)pyridine);bis(3,6-di(propan-2-yl)-1H-pyridin-2-one);2,6-di(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)-2H-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)-2,1,3-benzoxadiazole;1,5-di(propan-2-yl)-2,3-dihydro-1H-indene;4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;5,8-di(propan-2-yl)imidazo[1,2-c]pyrimidine;1,5-di(propan-2-yl)indole;bis(4,7-di(propan-2-yl)-2H-indole);1,4-di(propan-2-yl)naphthalene;bis(2,5-di(propan-2-yl)pyridine);bis(3,6-di(propan-2-yl)-1H-pyridin-2-one);2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene (CID 160666537) is 1,4-di(propan-2-yl)benzene;4,7-di(propan-2-yl)-1H-benzimidazole;4,7-di(propan-2-yl)-2H-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)-2,1,3-benzoxadiazole;1,5-di(propan-2-yl)-2,3-dihydro-1H-indene;4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;5,8-di(propan-2-yl)imidazo[1,2-c]pyrimidine;1,5-di(propan-2-yl)indole;bis(4,7-di(propan-2-yl)-2H-indole);1,4-di(propan-2-yl)naphthalene;bis(2,5-di(propan-2-yl)pyridine);bis(3,6-di(propan-2-yl)-1H-pyridin-2-one);2,6-di(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)-2H-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)-2,1,3-benzoxadiazole;1,5-di(propan-2-yl)-2,3-dihydro-1H-indene;4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;5,8-di(propan-2-yl)imidazo[1,2-c]pyrimidine;1,5-di(propan-2-yl)indole;bis(4,7-di(propan-2-yl)-2H-indole);1,4-di(propan-2-yl)naphthalene;bis(2,5-di(propan-2-yl)pyridine);bis(3,6-di(propan-2-yl)-1H-pyridin-2-one);2,6-di(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)-2H-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)-2,1,3-benzoxadiazole;1,5-di(propan-2-yl)-2,3-dihydro-1H-indene;4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;5,8-di(propan-2-yl)imidazo[1,2-c]pyrimidine;1,5-di(propan-2-yl)indole;bis(4,7-di(propan-2-yl)-2H-indole);1,4-di(propan-2-yl)naphthalene;bis(2,5-di(propan-2-yl)pyridine);bis(3,6-di(propan-2-yl)-1H-pyridin-2-one);2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene is CC(C)c1ccc(C(C)C)c(=O)[nH]1.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)c2c1=CCN=2.CC(C)c1ccc(C(C)C)c2c1=CCN=2.CC(C)c1ccc(C(C)C)c2c1=NCN=2.CC(C)c1ccc(C(C)C)c2c1CCC2.CC(C)c1ccc(C(C)C)c2c1OCO2.CC(C)c1ccc(C(C)C)c2ccccc12.CC(C)c1ccc(C(C)C)c2nonc12.CC(C)c1ccc(C(C)C)c2nsnc12.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc2c(c1)CCC(C(C)C)C2.CC(C)c1ccc2c(c1)CCC2C(C)C.CC(C)c1ccc2c(ccn2C(C)C)c1.CC(C)c1cnc(C(C)C)n2ccnc12.
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)-2H-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)-2,1,3-benzoxadiazole;1,5-di(propan-2-yl)-2,3-dihydro-1H-indene;4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;5,8-di(propan-2-yl)imidazo[1,2-c]pyrimidine;1,5-di(propan-2-yl)indole;bis(4,7-di(propan-2-yl)-2H-indole);1,4-di(propan-2-yl)naphthalene;bis(2,5-di(propan-2-yl)pyridine);bis(3,6-di(propan-2-yl)-1H-pyridin-2-one);2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is RMJKNTIPERRSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24.C16H20.2C15H22.3C14H19N.2C13H18N2.C13H18O2.C12H17N3.C12H16N2O.C12H16N2S.C12H18.2C11H17NO.2C11H17N/c1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13;1-11(2)13-9-10-14(12(3)4)16-8-6-5-7-15(13)16;1-10(2)12-5-8-15-13(9-12)6-7-14(15)11(3)4;1-10(2)12-8-9-13(11(3)4)15-7-5-6-14(12)15;1-10(2)12-5-6-14-13(9-12)7-8-15(14)11(3)4;2*1-9(2)11-5-6-12(10(3)4)14-13(11)7-8-15-14;3*1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13;1-8(2)10-7-14-11(9(3)4)15-6-5-13-12(10)15;2*1-7(2)9-5-6-10(8(3)4)12-11(9)13-15-14-12;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-7(2)9-5-6-10(8(3)4)12-11(9)13;2*1-8(2)10-5-6-11(9(3)4)12-7-10/h5,7,9,11-12,14H,6,8,10H2,1-4H3;5-12H,1-4H3;5,8-11,14H,6-7H2,1-4H3;8-11H,5-7H2,1-4H3;5-11H,1-4H3;2*5-7,9-10H,8H2,1-4H3;5-6,8-9H,7H2,1-4H3;5-9H,1-4H3,(H,14,15);5-6,8-9H,7H2,1-4H3;5-9H,1-4H3;2*5-8H,1-4H3;5-10H,1-4H3;2*5-8H,1-4H3,(H,12,13);2*5-9H,1-4H3.
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)-2H-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)-2,1,3-benzoxadiazole;1,5-di(propan-2-yl)-2,3-dihydro-1H-indene;4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;5,8-di(propan-2-yl)imidazo[1,2-c]pyrimidine;1,5-di(propan-2-yl)indole;bis(4,7-di(propan-2-yl)-2H-indole);1,4-di(propan-2-yl)naphthalene;bis(2,5-di(propan-2-yl)pyridine);bis(3,6-di(propan-2-yl)-1H-pyridin-2-one);2,6-di(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)-2H-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)-2,1,3-benzoxadiazole;1,5-di(propan-2-yl)-2,3-dihydro-1H-indene;4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;5,8-di(propan-2-yl)imidazo[1,2-c]pyrimidine;1,5-di(propan-2-yl)indole;bis(4,7-di(propan-2-yl)-2H-indole);1,4-di(propan-2-yl)naphthalene;bis(2,5-di(propan-2-yl)pyridine);bis(3,6-di(propan-2-yl)-1H-pyridin-2-one);2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 3523.44 g/mol, XLogP of 63.45, 36 rotatable bonds, 3 hydrogen bond donors, and 21 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)-2H-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)-2,1,3-benzoxadiazole;1,5-di(propan-2-yl)-2,3-dihydro-1H-indene;4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;5,8-di(propan-2-yl)imidazo[1,2-c]pyrimidine;1,5-di(propan-2-yl)indole;bis(4,7-di(propan-2-yl)-2H-indole);1,4-di(propan-2-yl)naphthalene;bis(2,5-di(propan-2-yl)pyridine);bis(3,6-di(propan-2-yl)-1H-pyridin-2-one);2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 160666537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).