1-tert-butyl-3-(3-propan-2-ylphenyl)benzene;1-ethyl-4-(3-propan-2-ylphenyl)benzene;methane;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)pyrazole;1-methyl-3-(3-propan-2-ylphenyl)pyrrole;bis(1-phenyl-3-propan-2-ylbenzene);1-propan-2-ylnaphthalene;2-(3-propan-2-ylphenyl)furan;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)thiophene;1-propan-2-yl-3-(4-propan-2-ylphenyl)benzene

C239H281N7OS — CID 167540323

IUPAC1-tert-butyl-3-(3-propan-2-ylphenyl)benzene;1-ethyl-4-(3-propan-2-ylphenyl)benzene;methane;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)pyrazole;1-methyl-3-(3-propan-2-ylphenyl)pyrrole;bis(1-phenyl-3-propan-2-ylbenzene);1-propan-2-ylnaphthalene;2-(3-propan-2-ylphenyl)furan;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)thiophene;1-propan-2-yl-3-(4-propan-2-ylphenyl)benzene
SMILESC.C.C.CC(C)c1ccc(-c2cccc(C(C)C)c2)cc1.CC(C)c1cccc(-c2cc[nH]c2)c1.CC(C)c1cccc(-c2ccc[nH]2)c1.CC(C)c1cccc(-c2cccc(C(C)(C)C)c2)c1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(-c2cccnc2)c1.CC(C)c1cccc(-c2ccco2)c1.CC(C)c1cccc(-c2ccn(C)c2)c1.CC(C)c1cccc(-c2ccncc2)c1.CC(C)c1cccc(-c2ccnn2C)c1.CC(C)c1cccc(-c2ccsc2)c1.CC(C)c1cccc2ccccc12.CCc1ccc(-c2cccc(C(C)C)c2)cc1.Cc1ccc(-c2cccc(C(C)C)c2)cc1.Cc1ccccc1-c1cccc(C(C)C)c1
InChIInChI=1S/C19H24.C18H22.C17H20.2C16H18.2C15H16.C14H17N.2C14H15N.C13H16N2.2C13H15N.C13H14O.C13H14S.C13H14.3CH4/c1-14(2)15-8-6-9-16(12-15)17-10-7-11-18(13-17)19(3,4)5;1-13(2)15-8-10-16(11-9-15)18-7-5-6-17(12-18)14(3)4;1-4-14-8-10-15(11-9-14)17-7-5-6-16(12-17)13(2)3;1-12(2)14-8-6-9-15(11-14)16-10-5-4-7-13(16)3;1-12(2)15-5-4-6-16(11-15)14-9-7-13(3)8-10-14;2*1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-11(2)12-5-4-6-13(9-12)14-7-8-15(3)10-14;1-11(2)12-5-3-6-13(9-12)14-7-4-8-15-10-14;1-11(2)13-4-3-5-14(10-13)12-6-8-15-9-7-12;1-10(2)11-5-4-6-12(9-11)13-7-8-14-15(13)3;1-10(2)11-5-3-6-12(9-11)13-7-4-8-14-13;1-10(2)11-4-3-5-12(8-11)13-6-7-14-9-13;1-10(2)11-5-3-6-12(9-11)13-7-4-8-14-13;1-10(2)11-4-3-5-12(8-11)13-6-7-14-9-13;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;;;/h6-14H,1-5H3;5-14H,1-4H3;5-13H,4H2,1-3H3;2*4-12H,1-3H3;2*3-12H,1-2H3;4-11H,1-3H3;2*3-11H,1-2H3;4-10H,1-3H3;2*3-10,14H,1-2H3;2*3-10H,1-2H3;3-10H,1-2H3;3*1H4
InChIKeyBCFVIMKHOIUDHH-UHFFFAOYSA-N
MW3299.99 g/mol
LogP71.80
Rot. Bonds33

About 1-tert-butyl-3-(3-propan-2-ylphenyl)benzene;1-ethyl-4-(3-propan-2-ylphenyl)benzene;methane;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)pyrazole;1-methyl-3-(3-propan-2-ylphenyl)pyrrole;bis(1-phenyl-3-propan-2-ylbenzene);1-propan-2-ylnaphthalene;2-(3-propan-2-ylphenyl)furan;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)thiophene;1-propan-2-yl-3-(4-propan-2-ylphenyl)benzene

1-tert-butyl-3-(3-propan-2-ylphenyl)benzene;1-ethyl-4-(3-propan-2-ylphenyl)benzene;methane;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)pyrazole;1-methyl-3-(3-propan-2-ylphenyl)pyrrole;bis(1-phenyl-3-propan-2-ylbenzene);1-propan-2-ylnaphthalene;2-(3-propan-2-ylphenyl)furan;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)thiophene;1-propan-2-yl-3-(4-propan-2-ylphenyl)benzene (PubChem CID 167540323) has the molecular formula C239H281N7OS and a molecular weight of 3299.99 g/mol. Its IUPAC name is 1-tert-butyl-3-(3-propan-2-ylphenyl)benzene;1-ethyl-4-(3-propan-2-ylphenyl)benzene;methane;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)pyrazole;1-methyl-3-(3-propan-2-ylphenyl)pyrrole;bis(1-phenyl-3-propan-2-ylbenzene);1-propan-2-ylnaphthalene;2-(3-propan-2-ylphenyl)furan;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)thiophene;1-propan-2-yl-3-(4-propan-2-ylphenyl)benzene.

Molecular Properties

Compound Name1-tert-butyl-3-(3-propan-2-ylphenyl)benzene;1-ethyl-4-(3-propan-2-ylphenyl)benzene;methane;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)pyrazole;1-methyl-3-(3-propan-2-ylphenyl)pyrrole;bis(1-phenyl-3-propan-2-ylbenzene);1-propan-2-ylnaphthalene;2-(3-propan-2-ylphenyl)furan;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)thiophene;1-propan-2-yl-3-(4-propan-2-ylphenyl)benzene
PubChem CID167540323
Molecular FormulaC239H281N7OS
Molecular Weight3299.99 g/mol
Exact Mass3297.19
IUPAC Name1-tert-butyl-3-(3-propan-2-ylphenyl)benzene;1-ethyl-4-(3-propan-2-ylphenyl)benzene;methane;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)pyrazole;1-methyl-3-(3-propan-2-ylphenyl)pyrrole;bis(1-phenyl-3-propan-2-ylbenzene);1-propan-2-ylnaphthalene;2-(3-propan-2-ylphenyl)furan;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)thiophene;1-propan-2-yl-3-(4-propan-2-ylphenyl)benzene
SMILESC.C.C.CC(C)c1ccc(-c2cccc(C(C)C)c2)cc1.CC(C)c1cccc(-c2cc[nH]c2)c1.CC(C)c1cccc(-c2ccc[nH]2)c1.CC(C)c1cccc(-c2cccc(C(C)(C)C)c2)c1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(-c2cccnc2)c1.CC(C)c1cccc(-c2ccco2)c1.CC(C)c1cccc(-c2ccn(C)c2)c1.CC(C)c1cccc(-c2ccncc2)c1.CC(C)c1cccc(-c2ccnn2C)c1.CC(C)c1cccc(-c2ccsc2)c1.CC(C)c1cccc2ccccc12.CCc1ccc(-c2cccc(C(C)C)c2)cc1.Cc1ccc(-c2cccc(C(C)C)c2)cc1.Cc1ccccc1-c1cccc(C(C)C)c1
InChIInChI=1S/C19H24.C18H22.C17H20.2C16H18.2C15H16.C14H17N.2C14H15N.C13H16N2.2C13H15N.C13H14O.C13H14S.C13H14.3CH4/c1-14(2)15-8-6-9-16(12-15)17-10-7-11-18(13-17)19(3,4)5;1-13(2)15-8-10-16(11-9-15)18-7-5-6-17(12-18)14(3)4;1-4-14-8-10-15(11-9-14)17-7-5-6-16(12-17)13(2)3;1-12(2)14-8-6-9-15(11-14)16-10-5-4-7-13(16)3;1-12(2)15-5-4-6-16(11-15)14-9-7-13(3)8-10-14;2*1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-11(2)12-5-4-6-13(9-12)14-7-8-15(3)10-14;1-11(2)12-5-3-6-13(9-12)14-7-4-8-15-10-14;1-11(2)13-4-3-5-14(10-13)12-6-8-15-9-7-12;1-10(2)11-5-4-6-12(9-11)13-7-8-14-15(13)3;1-10(2)11-5-3-6-12(9-11)13-7-4-8-14-13;1-10(2)11-4-3-5-12(8-11)13-6-7-14-9-13;1-10(2)11-5-3-6-12(9-11)13-7-4-8-14-13;1-10(2)11-4-3-5-12(8-11)13-6-7-14-9-13;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;;;/h6-14H,1-5H3;5-14H,1-4H3;5-13H,4H2,1-3H3;2*4-12H,1-3H3;2*3-12H,1-2H3;4-11H,1-3H3;2*3-11H,1-2H3;4-10H,1-3H3;2*3-10,14H,1-2H3;2*3-10H,1-2H3;3-10H,1-2H3;3*1H4
InChIKeyBCFVIMKHOIUDHH-UHFFFAOYSA-N
XLogP71.80
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds33
Heavy Atoms248
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003299.99
LogP ≤ 571.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-tert-butyl-3-(3-propan-2-ylphenyl)benzene;1-ethyl-4-(3-propan-2-ylphenyl)benzene;methane;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)pyrazole;1-methyl-3-(3-propan-2-ylphenyl)pyrrole;bis(1-phenyl-3-propan-2-ylbenzene);1-propan-2-ylnaphthalene;2-(3-propan-2-ylphenyl)furan;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)thiophene;1-propan-2-yl-3-(4-propan-2-ylphenyl)benzene with MolForge

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Related Compounds

4-(2-Decylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2,5-dihexylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(1,3-dimethylnaphthalen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(1-ethyl-2-hexylpyrrol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2-hexylfuran-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(4-hexylthieno[2,3-b]thiophen-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 158349808
N,N-dimethyl-4-(4-methylphenyl)aniline;2-(4-ethylphenyl)-5-methylthiophene;2-(4-methoxyphenyl)-5-methylthiophene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-4-phenoxybenzene;4-(4-methylphenyl)aniline;1-methyl-3-phenylbenzene;4-(4-methylphenyl)morpholine;(4-methylphenyl)-phenylmethanone;1-(4-methylphenyl)pyrazole;2-methyl-5-phenylpyridine;2-methyl-5-phenylthiophene;1-methyl-4-(trifluoromethoxy)benzene
CID 161982733
tert-butylbenzene;1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-1,1-difluorocyclohexane;bis(2-tert-butylfuran);3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylnaphthalene;1-tert-butylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene
CID 165007738
1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohex-3-en-1-amine
CID 123653830
1-[4-(2-benzofuran-1-yl)-5-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-3-(1H-pyrazol-3-yl)phenyl]-2H-isoindole
CID 141019378
2-[3-(2-benzofuran-1-yl)-2-(1-benzothiophen-2-yl)-5-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-4-(1H-pyrazol-3-yl)phenyl]quinoline
CID 141080146
2-[4-(1H-benzotriazol-4-yl)-3-(furan-2-yl)-5-(1H-indol-2-yl)-6-(1H-pyrazol-3-yl)-2-thiophen-2-yl-1-benzothiophen-7-yl]quinoxaline
CID 141108456
2-[5-(furan-2-yl)-2-(1H-indazol-3-yl)-3-(1H-indol-2-yl)-6,6-bis(1H-pyrrol-2-yl)-4-thiophen-2-ylcyclohexa-2,4-dien-1-yl]quinoline
CID 141213927
cumene;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157071553
tert-butylcyclohexane;2-tert-butylfuran;3-tert-butyloxolane;5-tert-butyl-3H-pyrrole;cumene;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-1H-pyrrole;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157153695
cumene;2-propan-2-yl-1-benzofuran;2-propan-2-ylfuran;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;2-propan-2-ylthiophene
CID 157157091
tert-butylcyclohexane;2-tert-butylfuran;3-tert-butyloxolane;5-tert-butyl-3H-pyrrole;cumene;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157172469

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(3-propan-2-ylphenyl)benzene;1-ethyl-4-(3-propan-2-ylphenyl)benzene;methane;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)pyrazole;1-methyl-3-(3-propan-2-ylphenyl)pyrrole;bis(1-phenyl-3-propan-2-ylbenzene);1-propan-2-ylnaphthalene;2-(3-propan-2-ylphenyl)furan;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)thiophene;1-propan-2-yl-3-(4-propan-2-ylphenyl)benzene?
The IUPAC name of 1-tert-butyl-3-(3-propan-2-ylphenyl)benzene;1-ethyl-4-(3-propan-2-ylphenyl)benzene;methane;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)pyrazole;1-methyl-3-(3-propan-2-ylphenyl)pyrrole;bis(1-phenyl-3-propan-2-ylbenzene);1-propan-2-ylnaphthalene;2-(3-propan-2-ylphenyl)furan;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)thiophene;1-propan-2-yl-3-(4-propan-2-ylphenyl)benzene (CID 167540323) is 1-tert-butyl-3-(3-propan-2-ylphenyl)benzene;1-ethyl-4-(3-propan-2-ylphenyl)benzene;methane;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)pyrazole;1-methyl-3-(3-propan-2-ylphenyl)pyrrole;bis(1-phenyl-3-propan-2-ylbenzene);1-propan-2-ylnaphthalene;2-(3-propan-2-ylphenyl)furan;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)thiophene;1-propan-2-yl-3-(4-propan-2-ylphenyl)benzene.
What is the SMILES notation for 1-tert-butyl-3-(3-propan-2-ylphenyl)benzene;1-ethyl-4-(3-propan-2-ylphenyl)benzene;methane;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)pyrazole;1-methyl-3-(3-propan-2-ylphenyl)pyrrole;bis(1-phenyl-3-propan-2-ylbenzene);1-propan-2-ylnaphthalene;2-(3-propan-2-ylphenyl)furan;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)thiophene;1-propan-2-yl-3-(4-propan-2-ylphenyl)benzene?
The canonical SMILES for 1-tert-butyl-3-(3-propan-2-ylphenyl)benzene;1-ethyl-4-(3-propan-2-ylphenyl)benzene;methane;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)pyrazole;1-methyl-3-(3-propan-2-ylphenyl)pyrrole;bis(1-phenyl-3-propan-2-ylbenzene);1-propan-2-ylnaphthalene;2-(3-propan-2-ylphenyl)furan;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)thiophene;1-propan-2-yl-3-(4-propan-2-ylphenyl)benzene is C.C.C.CC(C)c1ccc(-c2cccc(C(C)C)c2)cc1.CC(C)c1cccc(-c2cc[nH]c2)c1.CC(C)c1cccc(-c2ccc[nH]2)c1.CC(C)c1cccc(-c2cccc(C(C)(C)C)c2)c1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(-c2cccnc2)c1.CC(C)c1cccc(-c2ccco2)c1.CC(C)c1cccc(-c2ccn(C)c2)c1.CC(C)c1cccc(-c2ccncc2)c1.CC(C)c1cccc(-c2ccnn2C)c1.CC(C)c1cccc(-c2ccsc2)c1.CC(C)c1cccc2ccccc12.CCc1ccc(-c2cccc(C(C)C)c2)cc1.Cc1ccc(-c2cccc(C(C)C)c2)cc1.Cc1ccccc1-c1cccc(C(C)C)c1.
What is the InChIKey of 1-tert-butyl-3-(3-propan-2-ylphenyl)benzene;1-ethyl-4-(3-propan-2-ylphenyl)benzene;methane;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)pyrazole;1-methyl-3-(3-propan-2-ylphenyl)pyrrole;bis(1-phenyl-3-propan-2-ylbenzene);1-propan-2-ylnaphthalene;2-(3-propan-2-ylphenyl)furan;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)thiophene;1-propan-2-yl-3-(4-propan-2-ylphenyl)benzene?
The InChIKey is BCFVIMKHOIUDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24.C18H22.C17H20.2C16H18.2C15H16.C14H17N.2C14H15N.C13H16N2.2C13H15N.C13H14O.C13H14S.C13H14.3CH4/c1-14(2)15-8-6-9-16(12-15)17-10-7-11-18(13-17)19(3,4)5;1-13(2)15-8-10-16(11-9-15)18-7-5-6-17(12-18)14(3)4;1-4-14-8-10-15(11-9-14)17-7-5-6-16(12-17)13(2)3;1-12(2)14-8-6-9-15(11-14)16-10-5-4-7-13(16)3;1-12(2)15-5-4-6-16(11-15)14-9-7-13(3)8-10-14;2*1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-11(2)12-5-4-6-13(9-12)14-7-8-15(3)10-14;1-11(2)12-5-3-6-13(9-12)14-7-4-8-15-10-14;1-11(2)13-4-3-5-14(10-13)12-6-8-15-9-7-12;1-10(2)11-5-4-6-12(9-11)13-7-8-14-15(13)3;1-10(2)11-5-3-6-12(9-11)13-7-4-8-14-13;1-10(2)11-4-3-5-12(8-11)13-6-7-14-9-13;1-10(2)11-5-3-6-12(9-11)13-7-4-8-14-13;1-10(2)11-4-3-5-12(8-11)13-6-7-14-9-13;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;;;/h6-14H,1-5H3;5-14H,1-4H3;5-13H,4H2,1-3H3;2*4-12H,1-3H3;2*3-12H,1-2H3;4-11H,1-3H3;2*3-11H,1-2H3;4-10H,1-3H3;2*3-10,14H,1-2H3;2*3-10H,1-2H3;3-10H,1-2H3;3*1H4.
What are the key properties of 1-tert-butyl-3-(3-propan-2-ylphenyl)benzene;1-ethyl-4-(3-propan-2-ylphenyl)benzene;methane;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)pyrazole;1-methyl-3-(3-propan-2-ylphenyl)pyrrole;bis(1-phenyl-3-propan-2-ylbenzene);1-propan-2-ylnaphthalene;2-(3-propan-2-ylphenyl)furan;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)thiophene;1-propan-2-yl-3-(4-propan-2-ylphenyl)benzene?
1-tert-butyl-3-(3-propan-2-ylphenyl)benzene;1-ethyl-4-(3-propan-2-ylphenyl)benzene;methane;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)pyrazole;1-methyl-3-(3-propan-2-ylphenyl)pyrrole;bis(1-phenyl-3-propan-2-ylbenzene);1-propan-2-ylnaphthalene;2-(3-propan-2-ylphenyl)furan;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)thiophene;1-propan-2-yl-3-(4-propan-2-ylphenyl)benzene has a molecular weight of 3299.99 g/mol, XLogP of 71.80, 33 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(3-propan-2-ylphenyl)benzene;1-ethyl-4-(3-propan-2-ylphenyl)benzene;methane;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)pyrazole;1-methyl-3-(3-propan-2-ylphenyl)pyrrole;bis(1-phenyl-3-propan-2-ylbenzene);1-propan-2-ylnaphthalene;2-(3-propan-2-ylphenyl)furan;3-(3-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)-1H-pyrrole;3-(3-propan-2-ylphenyl)thiophene;1-propan-2-yl-3-(4-propan-2-ylphenyl)benzene is sourced from PubChem (CID 167540323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).