5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-2-benzofuran;5,6-di(propan-2-yl)-1,2-benzothiazole;5,6-di(propan-2-yl)-2,1-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,2-benzoxazole;5,6-di(propan-2-yl)-2,1-benzoxazole;5,6-di(propan-2-yl)-1,3-dihydroindol-2-one;5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-3H-indazole;5,6-di(propan-2-yl)-1H-indene;bis(5,6-di(propan-2-yl)-1H-indole);tris(5,6-di(propan-2-yl)-3H-indole);bis(5,6-di(propan-2-yl)-1H-isoindole)

C247H330N16O5S3 — CID 162046284

IUPAC5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-2-benzofuran;5,6-di(propan-2-yl)-1,2-benzothiazole;5,6-di(propan-2-yl)-2,1-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,2-benzoxazole;5,6-di(propan-2-yl)-2,1-benzoxazole;5,6-di(propan-2-yl)-1,3-dihydroindol-2-one;5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-3H-indazole;5,6-di(propan-2-yl)-1H-indene;bis(5,6-di(propan-2-yl)-1H-indole);tris(5,6-di(propan-2-yl)-3H-indole);bis(5,6-di(propan-2-yl)-1H-isoindole)
SMILESCC(C)c1cc2c(cc1C(C)C)CC=C2.CC(C)c1cc2c(cc1C(C)C)CN=C2.CC(C)c1cc2c(cc1C(C)C)CN=C2.CC(C)c1cc2c(cc1C(C)C)N=CC2.CC(C)c1cc2c(cc1C(C)C)N=CC2.CC(C)c1cc2c(cc1C(C)C)N=CC2.CC(C)c1cc2c(cc1C(C)C)N=NC2.CC(C)c1cc2c(cc1C(C)C)NC(=O)C2.CC(C)c1cc2cc[nH]c2cc1C(C)C.CC(C)c1cc2cc[nH]c2cc1C(C)C.CC(C)c1cc2ccoc2cc1C(C)C.CC(C)c1cc2ccsc2cc1C(C)C.CC(C)c1cc2cn[nH]c2cc1C(C)C.CC(C)c1cc2cnoc2cc1C(C)C.CC(C)c1cc2cnsc2cc1C(C)C.CC(C)c1cc2cocc2cc1C(C)C.CC(C)c1cc2conc2cc1C(C)C.CC(C)c1cc2csnc2cc1C(C)C
InChIInChI=1S/C15H20.C14H19NO.7C14H19N.2C14H18O.C14H18S.2C13H18N2.2C13H17NO.2C13H17NS/c1-10(2)14-8-12-6-5-7-13(12)9-15(14)11(3)4;1-8(2)11-5-10-6-14(16)15-13(10)7-12(11)9(3)4;2*1-9(2)13-5-11-7-15-8-12(11)6-14(13)10(3)4;5*1-9(2)12-7-11-5-6-15-14(11)8-13(12)10(3)4;1-9(2)13-5-11-7-15-8-12(11)6-14(13)10(3)4;2*1-9(2)12-7-11-5-6-15-14(11)8-13(12)10(3)4;2*1-8(2)11-5-10-7-14-15-13(10)6-12(11)9(3)4;1-8(2)11-5-10-7-15-14-13(10)6-12(11)9(3)4;1-8(2)11-5-10-7-14-15-13(10)6-12(11)9(3)4;1-8(2)11-5-10-7-15-14-13(10)6-12(11)9(3)4;1-8(2)11-5-10-7-14-15-13(10)6-12(11)9(3)4/h5-6,8-11H,7H2,1-4H3;5,7-9H,6H2,1-4H3,(H,15,16);2*5-7,9-10H,8H2,1-4H3;3*6-10H,5H2,1-4H3;2*5-10,15H,1-4H3;3*5-10H,1-4H3;5-6,8-9H,7H2,1-4H3;5-9H,1-4H3,(H,14,15);4*5-9H,1-4H3
InChIKeyYXXWVZQOMXQCFE-UHFFFAOYSA-N
MW3699.66 g/mol
LogP77.15
Rot. Bonds36

About 5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-2-benzofuran;5,6-di(propan-2-yl)-1,2-benzothiazole;5,6-di(propan-2-yl)-2,1-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,2-benzoxazole;5,6-di(propan-2-yl)-2,1-benzoxazole;5,6-di(propan-2-yl)-1,3-dihydroindol-2-one;5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-3H-indazole;5,6-di(propan-2-yl)-1H-indene;bis(5,6-di(propan-2-yl)-1H-indole);tris(5,6-di(propan-2-yl)-3H-indole);bis(5,6-di(propan-2-yl)-1H-isoindole)

5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-2-benzofuran;5,6-di(propan-2-yl)-1,2-benzothiazole;5,6-di(propan-2-yl)-2,1-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,2-benzoxazole;5,6-di(propan-2-yl)-2,1-benzoxazole;5,6-di(propan-2-yl)-1,3-dihydroindol-2-one;5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-3H-indazole;5,6-di(propan-2-yl)-1H-indene;bis(5,6-di(propan-2-yl)-1H-indole);tris(5,6-di(propan-2-yl)-3H-indole);bis(5,6-di(propan-2-yl)-1H-isoindole) (PubChem CID 162046284) has the molecular formula C247H330N16O5S3 and a molecular weight of 3699.66 g/mol. Its IUPAC name is 5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-2-benzofuran;5,6-di(propan-2-yl)-1,2-benzothiazole;5,6-di(propan-2-yl)-2,1-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,2-benzoxazole;5,6-di(propan-2-yl)-2,1-benzoxazole;5,6-di(propan-2-yl)-1,3-dihydroindol-2-one;5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-3H-indazole;5,6-di(propan-2-yl)-1H-indene;bis(5,6-di(propan-2-yl)-1H-indole);tris(5,6-di(propan-2-yl)-3H-indole);bis(5,6-di(propan-2-yl)-1H-isoindole).

Molecular Properties

Compound Name5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-2-benzofuran;5,6-di(propan-2-yl)-1,2-benzothiazole;5,6-di(propan-2-yl)-2,1-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,2-benzoxazole;5,6-di(propan-2-yl)-2,1-benzoxazole;5,6-di(propan-2-yl)-1,3-dihydroindol-2-one;5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-3H-indazole;5,6-di(propan-2-yl)-1H-indene;bis(5,6-di(propan-2-yl)-1H-indole);tris(5,6-di(propan-2-yl)-3H-indole);bis(5,6-di(propan-2-yl)-1H-isoindole)
PubChem CID162046284
Molecular FormulaC247H330N16O5S3
Molecular Weight3699.66 g/mol
Exact Mass3696.52
IUPAC Name5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-2-benzofuran;5,6-di(propan-2-yl)-1,2-benzothiazole;5,6-di(propan-2-yl)-2,1-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,2-benzoxazole;5,6-di(propan-2-yl)-2,1-benzoxazole;5,6-di(propan-2-yl)-1,3-dihydroindol-2-one;5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-3H-indazole;5,6-di(propan-2-yl)-1H-indene;bis(5,6-di(propan-2-yl)-1H-indole);tris(5,6-di(propan-2-yl)-3H-indole);bis(5,6-di(propan-2-yl)-1H-isoindole)
SMILESCC(C)c1cc2c(cc1C(C)C)CC=C2.CC(C)c1cc2c(cc1C(C)C)CN=C2.CC(C)c1cc2c(cc1C(C)C)CN=C2.CC(C)c1cc2c(cc1C(C)C)N=CC2.CC(C)c1cc2c(cc1C(C)C)N=CC2.CC(C)c1cc2c(cc1C(C)C)N=CC2.CC(C)c1cc2c(cc1C(C)C)N=NC2.CC(C)c1cc2c(cc1C(C)C)NC(=O)C2.CC(C)c1cc2cc[nH]c2cc1C(C)C.CC(C)c1cc2cc[nH]c2cc1C(C)C.CC(C)c1cc2ccoc2cc1C(C)C.CC(C)c1cc2ccsc2cc1C(C)C.CC(C)c1cc2cn[nH]c2cc1C(C)C.CC(C)c1cc2cnoc2cc1C(C)C.CC(C)c1cc2cnsc2cc1C(C)C.CC(C)c1cc2cocc2cc1C(C)C.CC(C)c1cc2conc2cc1C(C)C.CC(C)c1cc2csnc2cc1C(C)C
InChIInChI=1S/C15H20.C14H19NO.7C14H19N.2C14H18O.C14H18S.2C13H18N2.2C13H17NO.2C13H17NS/c1-10(2)14-8-12-6-5-7-13(12)9-15(14)11(3)4;1-8(2)11-5-10-6-14(16)15-13(10)7-12(11)9(3)4;2*1-9(2)13-5-11-7-15-8-12(11)6-14(13)10(3)4;5*1-9(2)12-7-11-5-6-15-14(11)8-13(12)10(3)4;1-9(2)13-5-11-7-15-8-12(11)6-14(13)10(3)4;2*1-9(2)12-7-11-5-6-15-14(11)8-13(12)10(3)4;2*1-8(2)11-5-10-7-14-15-13(10)6-12(11)9(3)4;1-8(2)11-5-10-7-15-14-13(10)6-12(11)9(3)4;1-8(2)11-5-10-7-14-15-13(10)6-12(11)9(3)4;1-8(2)11-5-10-7-15-14-13(10)6-12(11)9(3)4;1-8(2)11-5-10-7-14-15-13(10)6-12(11)9(3)4/h5-6,8-11H,7H2,1-4H3;5,7-9H,6H2,1-4H3,(H,15,16);2*5-7,9-10H,8H2,1-4H3;3*6-10H,5H2,1-4H3;2*5-10,15H,1-4H3;3*5-10H,1-4H3;5-6,8-9H,7H2,1-4H3;5-9H,1-4H3,(H,14,15);4*5-9H,1-4H3
InChIKeyYXXWVZQOMXQCFE-UHFFFAOYSA-N
XLogP77.15
TPSA280.00 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds36
Heavy Atoms271
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003699.66
LogP ≤ 577.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-2-benzofuran;5,6-di(propan-2-yl)-1,2-benzothiazole;5,6-di(propan-2-yl)-2,1-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,2-benzoxazole;5,6-di(propan-2-yl)-2,1-benzoxazole;5,6-di(propan-2-yl)-1,3-dihydroindol-2-one;5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-3H-indazole;5,6-di(propan-2-yl)-1H-indene;bis(5,6-di(propan-2-yl)-1H-indole);tris(5,6-di(propan-2-yl)-3H-indole);bis(5,6-di(propan-2-yl)-1H-isoindole) with MolForge

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Launch Full Analysis

Related Compounds

ethane;methane;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,2-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1H-indazole;6-propan-2-yl-3H-indazole;5-propan-2-yl-1H-indene;6-propan-2-yl-1H-indole;6-propan-2-yl-3H-indole;5-propan-2-yl-1H-isoindole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylpyridine;6-propan-2-ylquinazoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-2,3,4,9-tetrahydro-1H-fluorene
CID 165036059
1,2-di(propan-2-yl)benzene;5,6-di(propan-2-yl)-1H-benzimidazole;5,6-di(propan-2-yl)-1,3-benzodioxole;5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-1,3-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,3-benzoxazole;6,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine;5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-1H-indole;2,3-di(propan-2-yl)naphthalene;2,3-di(propan-2-yl)pyridine;6,7-di(propan-2-yl)quinoline;6,7-di(propan-2-yl)quinoxaline
CID 165062456
5-propan-2-yl-1,3-dihydroindol-2-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-indole)
CID 160894284
6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1H-indazole;6-tert-butyl-3H-indole;5-tert-butyl-1H-isoindole
CID 160793170
1H-benzimidazole;1-benzofuran;1-benzothiophene;ethane;bis(1H-indazole);1H-indene;1H-indole;naphthalene
CID 159812743
1H-benzimidazole;1-benzofuran;1-benzothiophene;1,2-benzoxazole;2,1-benzoxazole;furan;1H-indazole;1H-indole;undecakis(2-methylpropane);1,2-oxazole;1,3-oxazole;2-propan-2-yl-1,3-benzoxazole;1,2,4-thiadiazole
CID 157208846
benzene;2-benzofuran;2,1-benzothiazole;2-benzothiophene;2,1-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indazole;tetrakis(1H-indene);tris(3H-indole);2H-isoindole;methane;naphthalene;1,5-naphthyridine;pyrazine;bis(pyridine);quinazoline;quinoline;thiophene
CID 160734192
1H-benzimidazole;3H-1-benzofuran-2-one;3H-1-benzothiophen-2-one;1,3-dihydroinden-2-one;1,3-dihydroindol-2-one;3,4-dihydro-1H-naphthalen-2-one;3H-indazole;1H-indene;1H-isoindole;decakis(2-methylpropane);2-(trifluoromethyl)-1H-indole
CID 158534067
1H-benzimidazole;1-benzofuran;2-benzofuran;1,2-benzothiazole;1,3-benzothiazole;2,1-benzothiazole;1-benzothiophene;2-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;2,1-benzoxazole;5H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[3,4-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;furo[3,4-c]pyridine;furo[3,4-d]pyrimidine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;bis(1H-indazole);1H-indole;2H-isoindole;[1,2]oxazolo[3,4-b]pyridine;[1,2]oxazolo[5,4-b]pyridine;pyrazolo[1,5-a]pyridine;bis(1H-pyrazolo[5,4-b]pyridine);pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;6H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[2,3-c]pyridine;2H-pyrrolo[3,4-c]pyridine;pyrrolo[1,2-c]pyrimidine;6H-pyrrolo[3,4-d]pyrimidine;[1,2]thiazolo[5,4-b]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[3,4-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[3,4-c]pyridine;thieno[3,4-d]pyrimidine
CID 160594777
3aH-benzotriazole;1H-benzimidazole;1,3-benzodioxole;1-benzofuran;1,2,3-benzothiadiazole;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;4H-1,4-benzoxazin-3-one;1,2-benzoxazole;1,3-benzoxazole;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;3,4-dihydro-1H-quinolin-2-one;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;isoquinoline;1,5-naphthyridine;1,8-naphthyridine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;pyrido[2,3-b]pyrazine;bis(1H-pyrrolo[2,3-b]pyridine);1H-pyrrolo[3,2-b]pyridine;quinoline;1H-quinolin-2-one;quinoxaline;1,2,3,4-tetrahydroquinoline;thieno[2,3-b]pyridine
CID 161316142
1H-benzimidazole;1-benzofuran;2-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;2-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;cinnoline;6H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;6H-cyclopenta[c]pyridine;ethane;1H-imidazo[4,5-b]pyridine;1H-indazole;2H-indene;1H-indole;isoquinoline;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phthalazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinazoline;quinoline;quinoxaline
CID 163509939
7H-furo[2,3-f]indole
CID 45122558

Frequently Asked Questions

What is the IUPAC name of 5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-2-benzofuran;5,6-di(propan-2-yl)-1,2-benzothiazole;5,6-di(propan-2-yl)-2,1-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,2-benzoxazole;5,6-di(propan-2-yl)-2,1-benzoxazole;5,6-di(propan-2-yl)-1,3-dihydroindol-2-one;5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-3H-indazole;5,6-di(propan-2-yl)-1H-indene;bis(5,6-di(propan-2-yl)-1H-indole);tris(5,6-di(propan-2-yl)-3H-indole);bis(5,6-di(propan-2-yl)-1H-isoindole)?
The IUPAC name of 5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-2-benzofuran;5,6-di(propan-2-yl)-1,2-benzothiazole;5,6-di(propan-2-yl)-2,1-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,2-benzoxazole;5,6-di(propan-2-yl)-2,1-benzoxazole;5,6-di(propan-2-yl)-1,3-dihydroindol-2-one;5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-3H-indazole;5,6-di(propan-2-yl)-1H-indene;bis(5,6-di(propan-2-yl)-1H-indole);tris(5,6-di(propan-2-yl)-3H-indole);bis(5,6-di(propan-2-yl)-1H-isoindole) (CID 162046284) is 5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-2-benzofuran;5,6-di(propan-2-yl)-1,2-benzothiazole;5,6-di(propan-2-yl)-2,1-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,2-benzoxazole;5,6-di(propan-2-yl)-2,1-benzoxazole;5,6-di(propan-2-yl)-1,3-dihydroindol-2-one;5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-3H-indazole;5,6-di(propan-2-yl)-1H-indene;bis(5,6-di(propan-2-yl)-1H-indole);tris(5,6-di(propan-2-yl)-3H-indole);bis(5,6-di(propan-2-yl)-1H-isoindole).
What is the SMILES notation for 5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-2-benzofuran;5,6-di(propan-2-yl)-1,2-benzothiazole;5,6-di(propan-2-yl)-2,1-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,2-benzoxazole;5,6-di(propan-2-yl)-2,1-benzoxazole;5,6-di(propan-2-yl)-1,3-dihydroindol-2-one;5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-3H-indazole;5,6-di(propan-2-yl)-1H-indene;bis(5,6-di(propan-2-yl)-1H-indole);tris(5,6-di(propan-2-yl)-3H-indole);bis(5,6-di(propan-2-yl)-1H-isoindole)?
The canonical SMILES for 5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-2-benzofuran;5,6-di(propan-2-yl)-1,2-benzothiazole;5,6-di(propan-2-yl)-2,1-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,2-benzoxazole;5,6-di(propan-2-yl)-2,1-benzoxazole;5,6-di(propan-2-yl)-1,3-dihydroindol-2-one;5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-3H-indazole;5,6-di(propan-2-yl)-1H-indene;bis(5,6-di(propan-2-yl)-1H-indole);tris(5,6-di(propan-2-yl)-3H-indole);bis(5,6-di(propan-2-yl)-1H-isoindole) is CC(C)c1cc2c(cc1C(C)C)CC=C2.CC(C)c1cc2c(cc1C(C)C)CN=C2.CC(C)c1cc2c(cc1C(C)C)CN=C2.CC(C)c1cc2c(cc1C(C)C)N=CC2.CC(C)c1cc2c(cc1C(C)C)N=CC2.CC(C)c1cc2c(cc1C(C)C)N=CC2.CC(C)c1cc2c(cc1C(C)C)N=NC2.CC(C)c1cc2c(cc1C(C)C)NC(=O)C2.CC(C)c1cc2cc[nH]c2cc1C(C)C.CC(C)c1cc2cc[nH]c2cc1C(C)C.CC(C)c1cc2ccoc2cc1C(C)C.CC(C)c1cc2ccsc2cc1C(C)C.CC(C)c1cc2cn[nH]c2cc1C(C)C.CC(C)c1cc2cnoc2cc1C(C)C.CC(C)c1cc2cnsc2cc1C(C)C.CC(C)c1cc2cocc2cc1C(C)C.CC(C)c1cc2conc2cc1C(C)C.CC(C)c1cc2csnc2cc1C(C)C.
What is the InChIKey of 5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-2-benzofuran;5,6-di(propan-2-yl)-1,2-benzothiazole;5,6-di(propan-2-yl)-2,1-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,2-benzoxazole;5,6-di(propan-2-yl)-2,1-benzoxazole;5,6-di(propan-2-yl)-1,3-dihydroindol-2-one;5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-3H-indazole;5,6-di(propan-2-yl)-1H-indene;bis(5,6-di(propan-2-yl)-1H-indole);tris(5,6-di(propan-2-yl)-3H-indole);bis(5,6-di(propan-2-yl)-1H-isoindole)?
The InChIKey is YXXWVZQOMXQCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20.C14H19NO.7C14H19N.2C14H18O.C14H18S.2C13H18N2.2C13H17NO.2C13H17NS/c1-10(2)14-8-12-6-5-7-13(12)9-15(14)11(3)4;1-8(2)11-5-10-6-14(16)15-13(10)7-12(11)9(3)4;2*1-9(2)13-5-11-7-15-8-12(11)6-14(13)10(3)4;5*1-9(2)12-7-11-5-6-15-14(11)8-13(12)10(3)4;1-9(2)13-5-11-7-15-8-12(11)6-14(13)10(3)4;2*1-9(2)12-7-11-5-6-15-14(11)8-13(12)10(3)4;2*1-8(2)11-5-10-7-14-15-13(10)6-12(11)9(3)4;1-8(2)11-5-10-7-15-14-13(10)6-12(11)9(3)4;1-8(2)11-5-10-7-14-15-13(10)6-12(11)9(3)4;1-8(2)11-5-10-7-15-14-13(10)6-12(11)9(3)4;1-8(2)11-5-10-7-14-15-13(10)6-12(11)9(3)4/h5-6,8-11H,7H2,1-4H3;5,7-9H,6H2,1-4H3,(H,15,16);2*5-7,9-10H,8H2,1-4H3;3*6-10H,5H2,1-4H3;2*5-10,15H,1-4H3;3*5-10H,1-4H3;5-6,8-9H,7H2,1-4H3;5-9H,1-4H3,(H,14,15);4*5-9H,1-4H3.
What are the key properties of 5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-2-benzofuran;5,6-di(propan-2-yl)-1,2-benzothiazole;5,6-di(propan-2-yl)-2,1-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,2-benzoxazole;5,6-di(propan-2-yl)-2,1-benzoxazole;5,6-di(propan-2-yl)-1,3-dihydroindol-2-one;5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-3H-indazole;5,6-di(propan-2-yl)-1H-indene;bis(5,6-di(propan-2-yl)-1H-indole);tris(5,6-di(propan-2-yl)-3H-indole);bis(5,6-di(propan-2-yl)-1H-isoindole)?
5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-2-benzofuran;5,6-di(propan-2-yl)-1,2-benzothiazole;5,6-di(propan-2-yl)-2,1-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,2-benzoxazole;5,6-di(propan-2-yl)-2,1-benzoxazole;5,6-di(propan-2-yl)-1,3-dihydroindol-2-one;5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-3H-indazole;5,6-di(propan-2-yl)-1H-indene;bis(5,6-di(propan-2-yl)-1H-indole);tris(5,6-di(propan-2-yl)-3H-indole);bis(5,6-di(propan-2-yl)-1H-isoindole) has a molecular weight of 3699.66 g/mol, XLogP of 77.15, 36 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-2-benzofuran;5,6-di(propan-2-yl)-1,2-benzothiazole;5,6-di(propan-2-yl)-2,1-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,2-benzoxazole;5,6-di(propan-2-yl)-2,1-benzoxazole;5,6-di(propan-2-yl)-1,3-dihydroindol-2-one;5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-3H-indazole;5,6-di(propan-2-yl)-1H-indene;bis(5,6-di(propan-2-yl)-1H-indole);tris(5,6-di(propan-2-yl)-3H-indole);bis(5,6-di(propan-2-yl)-1H-isoindole) is sourced from PubChem (CID 162046284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).