1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,7-di(propan-2-yl)-9H-carbazole;3,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)dibenzothiophene;2,7-di(propan-2-yl)-9H-fluorene;5,8-di(propan-2-yl)isoquinoline;1,4-di(propan-2-yl)naphthalene;1,5-di(propan-2-yl)naphthalene;1,8-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyrazine;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)quinazoline;3,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;3,6-di(propan-2-yl)thieno[3,2-b]thiophene;2,5-di(propan-2-yl)thiophene;ethane;3-methyl-4,7-di(propan-2-yl)-2,1,3-benzothiadiazol-3-ium;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole

C335H508N11O2S9+ — CID 157421893

IUPAC1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,7-di(propan-2-yl)-9H-carbazole;3,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)dibenzothiophene;2,7-di(propan-2-yl)-9H-fluorene;5,8-di(propan-2-yl)isoquinoline;1,4-di(propan-2-yl)naphthalene;1,5-di(propan-2-yl)naphthalene;1,8-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyrazine;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)quinazoline;3,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;3,6-di(propan-2-yl)thieno[3,2-b]thiophene;2,5-di(propan-2-yl)thiophene;ethane;3-methyl-4,7-di(propan-2-yl)-2,1,3-benzothiadiazol-3-ium;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cc2cc(C(C)C)sc2s1.CC(C)c1cc2sc(C(C)C)cc2s1.CC(C)c1ccc(C(C)C)c2c1ns[n+]2C.CC(C)c1ccc(C(C)C)c2ccccc12.CC(C)c1ccc(C(C)C)c2cnccc12.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)s1.CC(C)c1ccc2c(c1)Cc1cc(C(C)C)ccc1-2.CC(C)c1ccc2c(c1)[nH]c1cc(C(C)C)ccc12.CC(C)c1ccc2c(c1)oc1cc(C(C)C)ccc12.CC(C)c1ccc2c(c1)sc1cc(C(C)C)ccc12.CC(C)c1ccc2cc(C(C)C)ccc2c1.CC(C)c1ccc2nc(C(C)C)ncc2c1.CC(C)c1cccc(C(C)C)c1.CC(C)c1cccc2c(C(C)C)cccc12.CC(C)c1cccc2cccc(C(C)C)c12.CC(C)c1cnc(C(C)C)cn1.CC(C)c1cnc2cc(C(C)C)ccc2c1.CC(C)c1csc2c(C(C)C)csc12.Cc1oc(C(C)C)nc1C(C)C
InChIInChI=1S/C19H22.C18H21N.C18H20O.C18H20S.4C16H20.2C15H19N.C14H18N2.C13H19N2S.3C12H16S2.2C12H18.C11H17N.C10H16N2.C10H17NO.C10H16S.20C2H6/c1-12(2)14-5-7-18-16(9-14)11-17-10-15(13(3)4)6-8-19(17)18;3*1-11(2)13-5-7-15-16-8-6-14(12(3)4)10-18(16)19-17(15)9-13;1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13;1-11(2)13-7-5-10-16-14(12(3)4)8-6-9-15(13)16;1-11(2)14-9-5-7-13-8-6-10-15(12(3)4)16(13)14;1-11(2)13-9-10-14(12(3)4)16-8-6-5-7-15(13)16;1-10(2)12-5-6-13-7-14(11(3)4)9-16-15(13)8-12;1-10(2)12-5-6-13(11(3)4)15-9-16-8-7-14(12)15;1-9(2)11-5-6-13-12(7-11)8-15-14(16-13)10(3)4;1-8(2)10-6-7-11(9(3)4)13-12(10)14-16-15(13)5;1-7(2)9-5-13-12-10(8(3)4)6-14-11(9)12;1-7(2)9-5-11-12(13-9)6-10(14-11)8(3)4;1-7(2)10-5-9-6-11(8(3)4)14-12(9)13-10;1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)9-5-12-10(6-11-9)8(3)4;1-6(2)9-8(5)12-10(11-9)7(3)4;1-7(2)9-5-6-10(11-9)8(3)4;20*1-2/h5-10,12-13H,11H2,1-4H3;5-12,19H,1-4H3;2*5-12H,1-4H3;4*5-12H,1-4H3;2*5-11H,1-4H3;5-10H,1-4H3;6-9H,1-5H3;3*5-8H,1-4H3;2*5-10H,1-4H3;5-9H,1-4H3;5-8H,1-4H3;6-7H,1-5H3;5-8H,1-4H3;20*1-2H3/q;;;;;;;;;;;+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyAVRBAPZTJVLPKR-UHFFFAOYSA-N
MW5010.43 g/mol
LogP117.06
Rot. Bonds42

About 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,7-di(propan-2-yl)-9H-carbazole;3,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)dibenzothiophene;2,7-di(propan-2-yl)-9H-fluorene;5,8-di(propan-2-yl)isoquinoline;1,4-di(propan-2-yl)naphthalene;1,5-di(propan-2-yl)naphthalene;1,8-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyrazine;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)quinazoline;3,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;3,6-di(propan-2-yl)thieno[3,2-b]thiophene;2,5-di(propan-2-yl)thiophene;ethane;3-methyl-4,7-di(propan-2-yl)-2,1,3-benzothiadiazol-3-ium;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole

1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,7-di(propan-2-yl)-9H-carbazole;3,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)dibenzothiophene;2,7-di(propan-2-yl)-9H-fluorene;5,8-di(propan-2-yl)isoquinoline;1,4-di(propan-2-yl)naphthalene;1,5-di(propan-2-yl)naphthalene;1,8-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyrazine;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)quinazoline;3,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;3,6-di(propan-2-yl)thieno[3,2-b]thiophene;2,5-di(propan-2-yl)thiophene;ethane;3-methyl-4,7-di(propan-2-yl)-2,1,3-benzothiadiazol-3-ium;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole (PubChem CID 157421893) has the molecular formula C335H508N11O2S9+ and a molecular weight of 5010.43 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,7-di(propan-2-yl)-9H-carbazole;3,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)dibenzothiophene;2,7-di(propan-2-yl)-9H-fluorene;5,8-di(propan-2-yl)isoquinoline;1,4-di(propan-2-yl)naphthalene;1,5-di(propan-2-yl)naphthalene;1,8-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyrazine;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)quinazoline;3,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;3,6-di(propan-2-yl)thieno[3,2-b]thiophene;2,5-di(propan-2-yl)thiophene;ethane;3-methyl-4,7-di(propan-2-yl)-2,1,3-benzothiadiazol-3-ium;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,7-di(propan-2-yl)-9H-carbazole;3,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)dibenzothiophene;2,7-di(propan-2-yl)-9H-fluorene;5,8-di(propan-2-yl)isoquinoline;1,4-di(propan-2-yl)naphthalene;1,5-di(propan-2-yl)naphthalene;1,8-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyrazine;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)quinazoline;3,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;3,6-di(propan-2-yl)thieno[3,2-b]thiophene;2,5-di(propan-2-yl)thiophene;ethane;3-methyl-4,7-di(propan-2-yl)-2,1,3-benzothiadiazol-3-ium;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole
PubChem CID157421893
Molecular FormulaC335H508N11O2S9+
Molecular Weight5010.43 g/mol
Exact Mass5005.75
IUPAC Name1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,7-di(propan-2-yl)-9H-carbazole;3,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)dibenzothiophene;2,7-di(propan-2-yl)-9H-fluorene;5,8-di(propan-2-yl)isoquinoline;1,4-di(propan-2-yl)naphthalene;1,5-di(propan-2-yl)naphthalene;1,8-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyrazine;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)quinazoline;3,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;3,6-di(propan-2-yl)thieno[3,2-b]thiophene;2,5-di(propan-2-yl)thiophene;ethane;3-methyl-4,7-di(propan-2-yl)-2,1,3-benzothiadiazol-3-ium;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cc2cc(C(C)C)sc2s1.CC(C)c1cc2sc(C(C)C)cc2s1.CC(C)c1ccc(C(C)C)c2c1ns[n+]2C.CC(C)c1ccc(C(C)C)c2ccccc12.CC(C)c1ccc(C(C)C)c2cnccc12.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)s1.CC(C)c1ccc2c(c1)Cc1cc(C(C)C)ccc1-2.CC(C)c1ccc2c(c1)[nH]c1cc(C(C)C)ccc12.CC(C)c1ccc2c(c1)oc1cc(C(C)C)ccc12.CC(C)c1ccc2c(c1)sc1cc(C(C)C)ccc12.CC(C)c1ccc2cc(C(C)C)ccc2c1.CC(C)c1ccc2nc(C(C)C)ncc2c1.CC(C)c1cccc(C(C)C)c1.CC(C)c1cccc2c(C(C)C)cccc12.CC(C)c1cccc2cccc(C(C)C)c12.CC(C)c1cnc(C(C)C)cn1.CC(C)c1cnc2cc(C(C)C)ccc2c1.CC(C)c1csc2c(C(C)C)csc12.Cc1oc(C(C)C)nc1C(C)C
InChIInChI=1S/C19H22.C18H21N.C18H20O.C18H20S.4C16H20.2C15H19N.C14H18N2.C13H19N2S.3C12H16S2.2C12H18.C11H17N.C10H16N2.C10H17NO.C10H16S.20C2H6/c1-12(2)14-5-7-18-16(9-14)11-17-10-15(13(3)4)6-8-19(17)18;3*1-11(2)13-5-7-15-16-8-6-14(12(3)4)10-18(16)19-17(15)9-13;1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13;1-11(2)13-7-5-10-16-14(12(3)4)8-6-9-15(13)16;1-11(2)14-9-5-7-13-8-6-10-15(12(3)4)16(13)14;1-11(2)13-9-10-14(12(3)4)16-8-6-5-7-15(13)16;1-10(2)12-5-6-13-7-14(11(3)4)9-16-15(13)8-12;1-10(2)12-5-6-13(11(3)4)15-9-16-8-7-14(12)15;1-9(2)11-5-6-13-12(7-11)8-15-14(16-13)10(3)4;1-8(2)10-6-7-11(9(3)4)13-12(10)14-16-15(13)5;1-7(2)9-5-13-12-10(8(3)4)6-14-11(9)12;1-7(2)9-5-11-12(13-9)6-10(14-11)8(3)4;1-7(2)10-5-9-6-11(8(3)4)14-12(9)13-10;1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)9-5-12-10(6-11-9)8(3)4;1-6(2)9-8(5)12-10(11-9)7(3)4;1-7(2)9-5-6-10(11-9)8(3)4;20*1-2/h5-10,12-13H,11H2,1-4H3;5-12,19H,1-4H3;2*5-12H,1-4H3;4*5-12H,1-4H3;2*5-11H,1-4H3;5-10H,1-4H3;6-9H,1-5H3;3*5-8H,1-4H3;2*5-10H,1-4H3;5-9H,1-4H3;5-8H,1-4H3;6-7H,1-5H3;5-8H,1-4H3;20*1-2H3/q;;;;;;;;;;;+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyAVRBAPZTJVLPKR-UHFFFAOYSA-N
XLogP117.06
TPSA161.96 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds42
Heavy Atoms357
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005010.43
LogP ≤ 5117.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,7-di(propan-2-yl)-9H-carbazole;3,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)dibenzothiophene;2,7-di(propan-2-yl)-9H-fluorene;5,8-di(propan-2-yl)isoquinoline;1,4-di(propan-2-yl)naphthalene;1,5-di(propan-2-yl)naphthalene;1,8-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyrazine;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)quinazoline;3,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;3,6-di(propan-2-yl)thieno[3,2-b]thiophene;2,5-di(propan-2-yl)thiophene;ethane;3-methyl-4,7-di(propan-2-yl)-2,1,3-benzothiadiazol-3-ium;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole with MolForge

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Related Compounds

1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;1-(2-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 157464689
benzaldehyde;benzonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2-(1,1-difluoroethyl)-1,3-bis(trifluoromethyl)benzene;3H-indole;4-methylidenecyclopent-2-en-1-one;4H-naphthalen-1-one;1,6-naphthyridine;phenanthridine;1H-phenanthro[9,10-d]imidazole;1,10-phenanthroline;2-phenyl-1,3-benzoxazole;2-pyridin-2-ylpyridine;quinoline
CID 158538440
2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 159430087
2-(1-Benzothiophen-2-yl)pyridine;2-(9,9-diethylfluoren-2-yl)-1-phenylbenzimidazole;4,7-diphenylbenzo[h]quinoline;9-ethyl-2-(1-phenylbenzimidazol-2-yl)carbazole;2-(5-methylthiophen-2-yl)pyridine;2-naphthalen-1-yl-1,3-benzoxazole;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-quinolin-2-ylquinoline;2-thiophen-2-yl-5-(trifluoromethyl)pyridine
CID 160455830
2-(1-benzothiophen-2-yl)pyridine;2-[3,5-bis(trifluoromethyl)phenyl]pyridine;2-(2,4-difluorophenyl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorophenyl)-4-methoxypyridine;2-(2,4-difluorophenyl)pyridine;4,7-diphenylbenzo[h]quinoline;9-ethyl-2-(1-phenylbenzimidazol-2-yl)carbazole;2-(5-methylthiophen-2-yl)pyridine;2-naphthalen-1-yl-1,3-benzoxazole;2-phenyl-1,3-benzothiazole;bis(2-phenylpyridine);2-thiophen-2-yl-5-(trifluoromethyl)pyridine
CID 160694799
1-cyclopentyl-3-propan-2-ylbenzene;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 161044231
5-[17-([1]Benzothiolo[2,3-a]carbazol-12-yl)-4-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaen-10-yl]-12-[17-phenyl-11-[11-phenyl-12-(17-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)indolo[2,3-a]carbazol-5-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaen-4-yl]-[1]benzofuro[2,3-a]carbazole
CID 139484324
2-[5-(1H-benzimidazol-2-yl)-2-(9H-carbazol-1-yl)-6-pyrimidin-2-yl-4-quinoxalin-2-yl-3-thiophen-2-ylphenyl]-1,3-benzoxazole
CID 141069858
2,6-dimethyl-1H-benzimidazole;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;4,6-dimethylpteridine;bis(2,6-dimethylpyridine);2,5-dimethylthiophene;methane;1,2,6-trimethylbenzimidazole;1,2,6-trimethylindole;bis(1,3-xylene)
CID 157052667
12-(4-Acridin-9-yl-6-phenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzofuran-2-yl-6-phenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzothiophen-2-yl-6-phenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-11-(3-naphthalen-2-ylphenyl)indolo[2,3-a]carbazole;3-(4,6-diphenylpyrimidin-2-yl)-20-phenyl-3,11,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaene;2-[6-phenyl-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-1,3-benzoxazole;11-phenyl-12-(4-phenyl-6-quinolin-2-ylpyrimidin-2-yl)indolo[2,3-a]carbazole
CID 157053062
1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;cinnoline;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1H-indazole;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane;1H-imidazo[4,5-b]pyridine;1H-indazole;quinazoline;quinoline;quinoxaline;1,2,3,4-tetrahydrobenzo[g]quinoline;1,2,3,4-tetrahydrocinnoline;1,2,3,4-tetrahydroquinazoline;bis(1,2,3,4-tetrahydroquinoline)
CID 157055905
2-(1H-benzimidazol-2-yl)-6,10-dihydro-5H-benzo[h]quinolin-10-ide;hexakis(chloroplatinum(1+));N,N-diphenyl-2-pyridin-2-yl-10H-1,7-phenanthrolin-10-id-8-amine;methyl 9-(3H-1-benzofuran-3-id-2-yl)-1,10-phenanthroline-2-carboxylate;6-[6-(4-methylsulfanylbenzene-6-id-1-yl)-2-pyridinyl]-N-phenylpyridine-2-carboxamide;2-(9-phenyl-10H-benzo[h]quinolin-10-id-2-yl)-1,3-benzothiazole;9-phenyl-2-phenyl-1,10-phenanthroline
CID 157090541

Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,7-di(propan-2-yl)-9H-carbazole;3,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)dibenzothiophene;2,7-di(propan-2-yl)-9H-fluorene;5,8-di(propan-2-yl)isoquinoline;1,4-di(propan-2-yl)naphthalene;1,5-di(propan-2-yl)naphthalene;1,8-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyrazine;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)quinazoline;3,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;3,6-di(propan-2-yl)thieno[3,2-b]thiophene;2,5-di(propan-2-yl)thiophene;ethane;3-methyl-4,7-di(propan-2-yl)-2,1,3-benzothiadiazol-3-ium;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole?
The IUPAC name of 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,7-di(propan-2-yl)-9H-carbazole;3,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)dibenzothiophene;2,7-di(propan-2-yl)-9H-fluorene;5,8-di(propan-2-yl)isoquinoline;1,4-di(propan-2-yl)naphthalene;1,5-di(propan-2-yl)naphthalene;1,8-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyrazine;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)quinazoline;3,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;3,6-di(propan-2-yl)thieno[3,2-b]thiophene;2,5-di(propan-2-yl)thiophene;ethane;3-methyl-4,7-di(propan-2-yl)-2,1,3-benzothiadiazol-3-ium;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole (CID 157421893) is 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,7-di(propan-2-yl)-9H-carbazole;3,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)dibenzothiophene;2,7-di(propan-2-yl)-9H-fluorene;5,8-di(propan-2-yl)isoquinoline;1,4-di(propan-2-yl)naphthalene;1,5-di(propan-2-yl)naphthalene;1,8-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyrazine;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)quinazoline;3,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;3,6-di(propan-2-yl)thieno[3,2-b]thiophene;2,5-di(propan-2-yl)thiophene;ethane;3-methyl-4,7-di(propan-2-yl)-2,1,3-benzothiadiazol-3-ium;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole.
What is the SMILES notation for 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,7-di(propan-2-yl)-9H-carbazole;3,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)dibenzothiophene;2,7-di(propan-2-yl)-9H-fluorene;5,8-di(propan-2-yl)isoquinoline;1,4-di(propan-2-yl)naphthalene;1,5-di(propan-2-yl)naphthalene;1,8-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyrazine;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)quinazoline;3,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;3,6-di(propan-2-yl)thieno[3,2-b]thiophene;2,5-di(propan-2-yl)thiophene;ethane;3-methyl-4,7-di(propan-2-yl)-2,1,3-benzothiadiazol-3-ium;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole?
The canonical SMILES for 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,7-di(propan-2-yl)-9H-carbazole;3,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)dibenzothiophene;2,7-di(propan-2-yl)-9H-fluorene;5,8-di(propan-2-yl)isoquinoline;1,4-di(propan-2-yl)naphthalene;1,5-di(propan-2-yl)naphthalene;1,8-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyrazine;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)quinazoline;3,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;3,6-di(propan-2-yl)thieno[3,2-b]thiophene;2,5-di(propan-2-yl)thiophene;ethane;3-methyl-4,7-di(propan-2-yl)-2,1,3-benzothiadiazol-3-ium;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cc2cc(C(C)C)sc2s1.CC(C)c1cc2sc(C(C)C)cc2s1.CC(C)c1ccc(C(C)C)c2c1ns[n+]2C.CC(C)c1ccc(C(C)C)c2ccccc12.CC(C)c1ccc(C(C)C)c2cnccc12.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)s1.CC(C)c1ccc2c(c1)Cc1cc(C(C)C)ccc1-2.CC(C)c1ccc2c(c1)[nH]c1cc(C(C)C)ccc12.CC(C)c1ccc2c(c1)oc1cc(C(C)C)ccc12.CC(C)c1ccc2c(c1)sc1cc(C(C)C)ccc12.CC(C)c1ccc2cc(C(C)C)ccc2c1.CC(C)c1ccc2nc(C(C)C)ncc2c1.CC(C)c1cccc(C(C)C)c1.CC(C)c1cccc2c(C(C)C)cccc12.CC(C)c1cccc2cccc(C(C)C)c12.CC(C)c1cnc(C(C)C)cn1.CC(C)c1cnc2cc(C(C)C)ccc2c1.CC(C)c1csc2c(C(C)C)csc12.Cc1oc(C(C)C)nc1C(C)C.
What is the InChIKey of 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,7-di(propan-2-yl)-9H-carbazole;3,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)dibenzothiophene;2,7-di(propan-2-yl)-9H-fluorene;5,8-di(propan-2-yl)isoquinoline;1,4-di(propan-2-yl)naphthalene;1,5-di(propan-2-yl)naphthalene;1,8-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyrazine;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)quinazoline;3,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;3,6-di(propan-2-yl)thieno[3,2-b]thiophene;2,5-di(propan-2-yl)thiophene;ethane;3-methyl-4,7-di(propan-2-yl)-2,1,3-benzothiadiazol-3-ium;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole?
The InChIKey is AVRBAPZTJVLPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22.C18H21N.C18H20O.C18H20S.4C16H20.2C15H19N.C14H18N2.C13H19N2S.3C12H16S2.2C12H18.C11H17N.C10H16N2.C10H17NO.C10H16S.20C2H6/c1-12(2)14-5-7-18-16(9-14)11-17-10-15(13(3)4)6-8-19(17)18;3*1-11(2)13-5-7-15-16-8-6-14(12(3)4)10-18(16)19-17(15)9-13;1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13;1-11(2)13-7-5-10-16-14(12(3)4)8-6-9-15(13)16;1-11(2)14-9-5-7-13-8-6-10-15(12(3)4)16(13)14;1-11(2)13-9-10-14(12(3)4)16-8-6-5-7-15(13)16;1-10(2)12-5-6-13-7-14(11(3)4)9-16-15(13)8-12;1-10(2)12-5-6-13(11(3)4)15-9-16-8-7-14(12)15;1-9(2)11-5-6-13-12(7-11)8-15-14(16-13)10(3)4;1-8(2)10-6-7-11(9(3)4)13-12(10)14-16-15(13)5;1-7(2)9-5-13-12-10(8(3)4)6-14-11(9)12;1-7(2)9-5-11-12(13-9)6-10(14-11)8(3)4;1-7(2)10-5-9-6-11(8(3)4)14-12(9)13-10;1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)9-5-12-10(6-11-9)8(3)4;1-6(2)9-8(5)12-10(11-9)7(3)4;1-7(2)9-5-6-10(11-9)8(3)4;20*1-2/h5-10,12-13H,11H2,1-4H3;5-12,19H,1-4H3;2*5-12H,1-4H3;4*5-12H,1-4H3;2*5-11H,1-4H3;5-10H,1-4H3;6-9H,1-5H3;3*5-8H,1-4H3;2*5-10H,1-4H3;5-9H,1-4H3;5-8H,1-4H3;6-7H,1-5H3;5-8H,1-4H3;20*1-2H3/q;;;;;;;;;;;+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,7-di(propan-2-yl)-9H-carbazole;3,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)dibenzothiophene;2,7-di(propan-2-yl)-9H-fluorene;5,8-di(propan-2-yl)isoquinoline;1,4-di(propan-2-yl)naphthalene;1,5-di(propan-2-yl)naphthalene;1,8-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyrazine;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)quinazoline;3,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;3,6-di(propan-2-yl)thieno[3,2-b]thiophene;2,5-di(propan-2-yl)thiophene;ethane;3-methyl-4,7-di(propan-2-yl)-2,1,3-benzothiadiazol-3-ium;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole?
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,7-di(propan-2-yl)-9H-carbazole;3,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)dibenzothiophene;2,7-di(propan-2-yl)-9H-fluorene;5,8-di(propan-2-yl)isoquinoline;1,4-di(propan-2-yl)naphthalene;1,5-di(propan-2-yl)naphthalene;1,8-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyrazine;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)quinazoline;3,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;3,6-di(propan-2-yl)thieno[3,2-b]thiophene;2,5-di(propan-2-yl)thiophene;ethane;3-methyl-4,7-di(propan-2-yl)-2,1,3-benzothiadiazol-3-ium;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole has a molecular weight of 5010.43 g/mol, XLogP of 117.06, 42 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,7-di(propan-2-yl)-9H-carbazole;3,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)dibenzothiophene;2,7-di(propan-2-yl)-9H-fluorene;5,8-di(propan-2-yl)isoquinoline;1,4-di(propan-2-yl)naphthalene;1,5-di(propan-2-yl)naphthalene;1,8-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyrazine;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)quinazoline;3,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;3,6-di(propan-2-yl)thieno[3,2-b]thiophene;2,5-di(propan-2-yl)thiophene;ethane;3-methyl-4,7-di(propan-2-yl)-2,1,3-benzothiadiazol-3-ium;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole is sourced from PubChem (CID 157421893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).