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

C225H349N7O3S — CID 158967193

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;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
SMILESC.C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C1=CCC(C(C)C)CC1.CC(C)C1=CCc2ccccc21.CC(C)C1=Cc2ccccc2C1.CC(C)C1=Nc2ccccc2C1.CC(C)C1CCC(C(C)C)CC1.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
InChIInChI=1S/C16H24.C16H20.C15H22.C13H18N2.C13H18O2.C13H18.C12H16N2S.C12H16.2C12H14.C12H24.C12H22.C12H18.C11H17NO.C11H13N.C11H17N.5C4H10.2CH4/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)9-5-6-10(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)12-7-10-5-3-4-6-11(10)8-12;1-9(2)11-8-7-10-5-3-4-6-12(10)11;3*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)11-7-9-5-3-4-6-10(9)12-11;1-8(2)10-5-6-11(9(3)4)12-7-10;5*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;5-8H,1-4H3;6-9H,3-5H2,1-2H3;3-7,9H,8H2,1-2H3;3-6,8-9H,7H2,1-2H3;9-12H,5-8H2,1-4H3;5,9-10,12H,6-8H2,1-4H3;5-10H,1-4H3;5-8H,1-4H3,(H,12,13);3-6,8H,7H2,1-2H3;5-9H,1-4H3;5*4H,1-3H3;2*1H4
InChIKeyJNIWJMJYVKXRKH-UHFFFAOYSA-N
MW3232.38 g/mol
LogP69.85
Rot. Bonds27

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;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

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 (PubChem CID 158967193) has the molecular formula C225H349N7O3S and a molecular weight of 3232.38 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;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.

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;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
PubChem CID158967193
Molecular FormulaC225H349N7O3S
Molecular Weight3232.38 g/mol
Exact Mass3229.71
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;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
SMILESC.C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C1=CCC(C(C)C)CC1.CC(C)C1=CCc2ccccc21.CC(C)C1=Cc2ccccc2C1.CC(C)C1=Nc2ccccc2C1.CC(C)C1CCC(C(C)C)CC1.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
InChIInChI=1S/C16H24.C16H20.C15H22.C13H18N2.C13H18O2.C13H18.C12H16N2S.C12H16.2C12H14.C12H24.C12H22.C12H18.C11H17NO.C11H13N.C11H17N.5C4H10.2CH4/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)9-5-6-10(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)12-7-10-5-3-4-6-11(10)8-12;1-9(2)11-8-7-10-5-3-4-6-12(10)11;3*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)11-7-9-5-3-4-6-10(9)12-11;1-8(2)10-5-6-11(9(3)4)12-7-10;5*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;5-8H,1-4H3;6-9H,3-5H2,1-2H3;3-7,9H,8H2,1-2H3;3-6,8-9H,7H2,1-2H3;9-12H,5-8H2,1-4H3;5,9-10,12H,6-8H2,1-4H3;5-10H,1-4H3;5-8H,1-4H3,(H,12,13);3-6,8H,7H2,1-2H3;5-9H,1-4H3;5*4H,1-3H3;2*1H4
InChIKeyJNIWJMJYVKXRKH-UHFFFAOYSA-N
XLogP69.85
TPSA131.03 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds27
Heavy Atoms236
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003232.38
LogP ≤ 569.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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;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 with MolForge

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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
9-(3H-benzimidazol-5-yl)-24-methyl-5,7,18,20-tetraoxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(24),2,4(8),9,11,13,15,17(21),22-nonaene
CID 58064852
11-(3H-benzimidazol-5-yl)-24-methyl-5,7,18,20-tetraoxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1,3,8,10,12,14(22),15,17(21),23-nonaene
CID 58064877
16-(3H-benzimidazol-5-yl)-24-methyl-5,7,18,20-tetraoxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14,16,21,23-nonaene
CID 58064928
15-(3H-benzimidazol-5-yl)-24-methyl-5,7,18,20-tetraoxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(24),2,4(8),9,11,13,15,17(21),22-nonaene
CID 58065002
12-(3H-benzimidazol-5-yl)-24-methyl-5,7,18,20-tetraoxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1,3,8,10,12,14(22),15,17(21),23-nonaene
CID 58065005
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
2-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-pyridinyl)pyridine;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-benzimidazole;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1,3-dihydroindol-2-one;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-3H-indole;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]isoquinoline;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]quinoxaline
CID 158863937
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;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
2-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-pyridinyl)pyridine;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-benzimidazole;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1,3-dihydroindol-2-one;5-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-isoindole;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]isoquinoline;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]quinoxaline
CID 159180584

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;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?
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;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) 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;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.
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;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?
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;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 is C.C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C1=CCC(C(C)C)CC1.CC(C)C1=CCc2ccccc21.CC(C)C1=Cc2ccccc2C1.CC(C)C1=Nc2ccccc2C1.CC(C)C1CCC(C(C)C)CC1.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.
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;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?
The InChIKey is JNIWJMJYVKXRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24.C16H20.C15H22.C13H18N2.C13H18O2.C13H18.C12H16N2S.C12H16.2C12H14.C12H24.C12H22.C12H18.C11H17NO.C11H13N.C11H17N.5C4H10.2CH4/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)9-5-6-10(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)12-7-10-5-3-4-6-11(10)8-12;1-9(2)11-8-7-10-5-3-4-6-12(10)11;3*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)11-7-9-5-3-4-6-10(9)12-11;1-8(2)10-5-6-11(9(3)4)12-7-10;5*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;5-8H,1-4H3;6-9H,3-5H2,1-2H3;3-7,9H,8H2,1-2H3;3-6,8-9H,7H2,1-2H3;9-12H,5-8H2,1-4H3;5,9-10,12H,6-8H2,1-4H3;5-10H,1-4H3;5-8H,1-4H3,(H,12,13);3-6,8H,7H2,1-2H3;5-9H,1-4H3;5*4H,1-3H3;2*1H4.
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;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?
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 has a molecular weight of 3232.38 g/mol, XLogP of 69.85, 27 rotatable bonds, 2 hydrogen bond donors, and 9 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;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 is sourced from PubChem (CID 158967193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).