6-tert-butyl-1,3-benzothiazole;8-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-4H-chromen-3-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methylidene-3,4-dihydro-1,4-benzoxazine;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-2-methyl-3H-indole;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;7-tert-butyl-1,2,3,4-tetrahydroquinoline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine

C265H343N31O6S — CID 158468294

IUPAC6-tert-butyl-1,3-benzothiazole;8-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-4H-chromen-3-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methylidene-3,4-dihydro-1,4-benzoxazine;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-2-methyl-3H-indole;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;7-tert-butyl-1,2,3,4-tetrahydroquinoline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESC=C1CCc2cc(C(C)(C)C)ccc2C1.C=C1CNc2cc(C(C)(C)C)ccc2O1.CC(C)(C)c1ccc2c(c1)C(=O)CC2.CC(C)(C)c1ccc2c(c1)N=CC2.CC(C)(C)c1ccc2c(c1)NCCC2.CC(C)(C)c1ccc2c(c1)OCC(=O)C2.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2cc[nH]c2n1.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1ccc2ncnn2c1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1cccc2c1OCC(=O)N2.CC(C)(C)c1ccn2ccnc2c1.CC(C)(C)c1ccn2ncnc2c1.CC1=Nc2cc(C(C)(C)C)ccc2C1.Cn1ccc2cc(C(C)(C)C)ccc21.Cn1ccc2ccc(C(C)(C)C)cc21.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1cnc2ccc(C(C)(C)C)cc21.Cn1ncc2cc(C(C)(C)C)ccc21.Cn1ncc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C15H20.C13H17NO.3C13H17N.C13H19N.C13H16O2.C13H16O.4C12H16N2.C12H15NO2.2C12H15N.4C11H14N2.C11H13NS.2C10H13N3/c1-11-5-6-13-10-14(15(2,3)4)8-7-12(13)9-11;1-9-8-14-11-7-10(13(2,3)4)5-6-12(11)15-9;1-9-7-10-5-6-11(13(2,3)4)8-12(10)14-9;1-13(2,3)11-5-6-12-10(9-11)7-8-14(12)4;1-13(2,3)11-6-5-10-7-8-14(4)12(10)9-11;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-13(2,3)10-5-4-9-6-11(14)8-15-12(9)7-10;1-13(2,3)10-6-4-9-5-7-12(14)11(9)8-10;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)4;1-12(2,3)10-6-5-9-8-13-14(4)11(9)7-10;1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;1-12(2,3)9-5-6-10-11(7-9)14(4)8-13-10;1-12(2,3)8-5-4-6-9-11(8)15-7-10(14)13-9;2*1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-11(2,3)9-4-6-13-7-5-12-10(13)8-9;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;1-11(2,3)9-5-4-8-6-7-12-10(8)13-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-10(2,3)8-4-5-13-9(6-8)11-7-12-13;1-10(2,3)8-4-5-9-11-7-12-13(9)6-8/h7-8,10H,1,5-6,9H2,2-4H3;5-7,14H,1,8H2,2-4H3;5-6,8H,7H2,1-4H3;2*5-9H,1-4H3;6-7,9,14H,4-5,8H2,1-3H3;4-5,7H,6,8H2,1-3H3;4,6,8H,5,7H2,1-3H3;4*5-8H,1-4H3;4-6H,7H2,1-3H3,(H,13,14);4-5,7-8H,6H2,1-3H3;4-8,13H,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4-8H,1-3H3;4-7H,1-3H3,(H,12,13);3*4-7H,1-3H3
InChIKeyHGANDTQUKSVYFZ-UHFFFAOYSA-N
MW4090.94 g/mol
LogP66.00
Rot. Bonds

About 6-tert-butyl-1,3-benzothiazole;8-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-4H-chromen-3-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methylidene-3,4-dihydro-1,4-benzoxazine;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-2-methyl-3H-indole;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;7-tert-butyl-1,2,3,4-tetrahydroquinoline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine

6-tert-butyl-1,3-benzothiazole;8-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-4H-chromen-3-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methylidene-3,4-dihydro-1,4-benzoxazine;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-2-methyl-3H-indole;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;7-tert-butyl-1,2,3,4-tetrahydroquinoline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 158468294) has the molecular formula C265H343N31O6S and a molecular weight of 4090.94 g/mol. Its IUPAC name is 6-tert-butyl-1,3-benzothiazole;8-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-4H-chromen-3-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methylidene-3,4-dihydro-1,4-benzoxazine;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-2-methyl-3H-indole;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;7-tert-butyl-1,2,3,4-tetrahydroquinoline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-tert-butyl-1,3-benzothiazole;8-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-4H-chromen-3-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methylidene-3,4-dihydro-1,4-benzoxazine;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-2-methyl-3H-indole;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;7-tert-butyl-1,2,3,4-tetrahydroquinoline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID158468294
Molecular FormulaC265H343N31O6S
Molecular Weight4090.94 g/mol
Exact Mass4087.72
IUPAC Name6-tert-butyl-1,3-benzothiazole;8-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-4H-chromen-3-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methylidene-3,4-dihydro-1,4-benzoxazine;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-2-methyl-3H-indole;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;7-tert-butyl-1,2,3,4-tetrahydroquinoline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESC=C1CCc2cc(C(C)(C)C)ccc2C1.C=C1CNc2cc(C(C)(C)C)ccc2O1.CC(C)(C)c1ccc2c(c1)C(=O)CC2.CC(C)(C)c1ccc2c(c1)N=CC2.CC(C)(C)c1ccc2c(c1)NCCC2.CC(C)(C)c1ccc2c(c1)OCC(=O)C2.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2cc[nH]c2n1.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1ccc2ncnn2c1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1cccc2c1OCC(=O)N2.CC(C)(C)c1ccn2ccnc2c1.CC(C)(C)c1ccn2ncnc2c1.CC1=Nc2cc(C(C)(C)C)ccc2C1.Cn1ccc2cc(C(C)(C)C)ccc21.Cn1ccc2ccc(C(C)(C)C)cc21.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1cnc2ccc(C(C)(C)C)cc21.Cn1ncc2cc(C(C)(C)C)ccc21.Cn1ncc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C15H20.C13H17NO.3C13H17N.C13H19N.C13H16O2.C13H16O.4C12H16N2.C12H15NO2.2C12H15N.4C11H14N2.C11H13NS.2C10H13N3/c1-11-5-6-13-10-14(15(2,3)4)8-7-12(13)9-11;1-9-8-14-11-7-10(13(2,3)4)5-6-12(11)15-9;1-9-7-10-5-6-11(13(2,3)4)8-12(10)14-9;1-13(2,3)11-5-6-12-10(9-11)7-8-14(12)4;1-13(2,3)11-6-5-10-7-8-14(4)12(10)9-11;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-13(2,3)10-5-4-9-6-11(14)8-15-12(9)7-10;1-13(2,3)10-6-4-9-5-7-12(14)11(9)8-10;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)4;1-12(2,3)10-6-5-9-8-13-14(4)11(9)7-10;1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;1-12(2,3)9-5-6-10-11(7-9)14(4)8-13-10;1-12(2,3)8-5-4-6-9-11(8)15-7-10(14)13-9;2*1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-11(2,3)9-4-6-13-7-5-12-10(13)8-9;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;1-11(2,3)9-5-4-8-6-7-12-10(8)13-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-10(2,3)8-4-5-13-9(6-8)11-7-12-13;1-10(2,3)8-4-5-9-11-7-12-13(9)6-8/h7-8,10H,1,5-6,9H2,2-4H3;5-7,14H,1,8H2,2-4H3;5-6,8H,7H2,1-4H3;2*5-9H,1-4H3;6-7,9,14H,4-5,8H2,1-3H3;4-5,7H,6,8H2,1-3H3;4,6,8H,5,7H2,1-3H3;4*5-8H,1-4H3;4-6H,7H2,1-3H3,(H,13,14);4-5,7-8H,6H2,1-3H3;4-8,13H,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4-8H,1-3H3;4-7H,1-3H3,(H,12,13);3*4-7H,1-3H3
InChIKeyHGANDTQUKSVYFZ-UHFFFAOYSA-N
XLogP66.00
TPSA401.87 Ų
H-Bond Donors6
H-Bond Acceptors34
Rotatable Bonds
Heavy Atoms303
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004090.94
LogP ≤ 566.00
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1034

Analyze 6-tert-butyl-1,3-benzothiazole;8-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-4H-chromen-3-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methylidene-3,4-dihydro-1,4-benzoxazine;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-2-methyl-3H-indole;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;7-tert-butyl-1,2,3,4-tetrahydroquinoline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1,3-benzothiazole;8-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-4H-chromen-3-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methylidene-3,4-dihydro-1,4-benzoxazine;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-2-methyl-3H-indole;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;7-tert-butyl-1,2,3,4-tetrahydroquinoline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-tert-butyl-1,3-benzothiazole;8-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-4H-chromen-3-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methylidene-3,4-dihydro-1,4-benzoxazine;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-2-methyl-3H-indole;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;7-tert-butyl-1,2,3,4-tetrahydroquinoline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine (CID 158468294) is 6-tert-butyl-1,3-benzothiazole;8-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-4H-chromen-3-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methylidene-3,4-dihydro-1,4-benzoxazine;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-2-methyl-3H-indole;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;7-tert-butyl-1,2,3,4-tetrahydroquinoline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-tert-butyl-1,3-benzothiazole;8-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-4H-chromen-3-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methylidene-3,4-dihydro-1,4-benzoxazine;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-2-methyl-3H-indole;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;7-tert-butyl-1,2,3,4-tetrahydroquinoline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-tert-butyl-1,3-benzothiazole;8-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-4H-chromen-3-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methylidene-3,4-dihydro-1,4-benzoxazine;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-2-methyl-3H-indole;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;7-tert-butyl-1,2,3,4-tetrahydroquinoline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine is C=C1CCc2cc(C(C)(C)C)ccc2C1.C=C1CNc2cc(C(C)(C)C)ccc2O1.CC(C)(C)c1ccc2c(c1)C(=O)CC2.CC(C)(C)c1ccc2c(c1)N=CC2.CC(C)(C)c1ccc2c(c1)NCCC2.CC(C)(C)c1ccc2c(c1)OCC(=O)C2.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2cc[nH]c2n1.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1ccc2ncnn2c1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1cccc2c1OCC(=O)N2.CC(C)(C)c1ccn2ccnc2c1.CC(C)(C)c1ccn2ncnc2c1.CC1=Nc2cc(C(C)(C)C)ccc2C1.Cn1ccc2cc(C(C)(C)C)ccc21.Cn1ccc2ccc(C(C)(C)C)cc21.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1cnc2ccc(C(C)(C)C)cc21.Cn1ncc2cc(C(C)(C)C)ccc21.Cn1ncc2ccc(C(C)(C)C)cc21.
What is the InChIKey of 6-tert-butyl-1,3-benzothiazole;8-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-4H-chromen-3-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methylidene-3,4-dihydro-1,4-benzoxazine;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-2-methyl-3H-indole;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;7-tert-butyl-1,2,3,4-tetrahydroquinoline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is HGANDTQUKSVYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20.C13H17NO.3C13H17N.C13H19N.C13H16O2.C13H16O.4C12H16N2.C12H15NO2.2C12H15N.4C11H14N2.C11H13NS.2C10H13N3/c1-11-5-6-13-10-14(15(2,3)4)8-7-12(13)9-11;1-9-8-14-11-7-10(13(2,3)4)5-6-12(11)15-9;1-9-7-10-5-6-11(13(2,3)4)8-12(10)14-9;1-13(2,3)11-5-6-12-10(9-11)7-8-14(12)4;1-13(2,3)11-6-5-10-7-8-14(4)12(10)9-11;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-13(2,3)10-5-4-9-6-11(14)8-15-12(9)7-10;1-13(2,3)10-6-4-9-5-7-12(14)11(9)8-10;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)4;1-12(2,3)10-6-5-9-8-13-14(4)11(9)7-10;1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;1-12(2,3)9-5-6-10-11(7-9)14(4)8-13-10;1-12(2,3)8-5-4-6-9-11(8)15-7-10(14)13-9;2*1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-11(2,3)9-4-6-13-7-5-12-10(13)8-9;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;1-11(2,3)9-5-4-8-6-7-12-10(8)13-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-10(2,3)8-4-5-13-9(6-8)11-7-12-13;1-10(2,3)8-4-5-9-11-7-12-13(9)6-8/h7-8,10H,1,5-6,9H2,2-4H3;5-7,14H,1,8H2,2-4H3;5-6,8H,7H2,1-4H3;2*5-9H,1-4H3;6-7,9,14H,4-5,8H2,1-3H3;4-5,7H,6,8H2,1-3H3;4,6,8H,5,7H2,1-3H3;4*5-8H,1-4H3;4-6H,7H2,1-3H3,(H,13,14);4-5,7-8H,6H2,1-3H3;4-8,13H,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4-8H,1-3H3;4-7H,1-3H3,(H,12,13);3*4-7H,1-3H3.
What are the key properties of 6-tert-butyl-1,3-benzothiazole;8-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-4H-chromen-3-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methylidene-3,4-dihydro-1,4-benzoxazine;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-2-methyl-3H-indole;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;7-tert-butyl-1,2,3,4-tetrahydroquinoline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine?
6-tert-butyl-1,3-benzothiazole;8-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-4H-chromen-3-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methylidene-3,4-dihydro-1,4-benzoxazine;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-2-methyl-3H-indole;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;7-tert-butyl-1,2,3,4-tetrahydroquinoline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 4090.94 g/mol, XLogP of 66.00, 0 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1,3-benzothiazole;8-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-4H-chromen-3-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methylidene-3,4-dihydro-1,4-benzoxazine;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-2-methyl-3H-indole;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;7-tert-butyl-1,2,3,4-tetrahydroquinoline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 158468294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).