4,5-ditert-butyl-1H-benzimidazole;5,6-ditert-butyl-1,3-benzodioxole;6,7-ditert-butyl-4H-1,4-benzoxazin-3-one;5,6-ditert-butylchromen-2-one;6,7-ditert-butyl-2,3-dihydro-1,4-benzodioxine;4,5-ditert-butyl-1H-indole;1,2-ditert-butylnaphthalene;bis(2,3-ditert-butylpyridine);3,4-ditert-butylpyridine;5,6-ditert-butylquinoline;2,3-ditert-butylthiophene

C181H266N8O8S — CID 158157622

IUPAC4,5-ditert-butyl-1H-benzimidazole;5,6-ditert-butyl-1,3-benzodioxole;6,7-ditert-butyl-4H-1,4-benzoxazin-3-one;5,6-ditert-butylchromen-2-one;6,7-ditert-butyl-2,3-dihydro-1,4-benzodioxine;4,5-ditert-butyl-1H-indole;1,2-ditert-butylnaphthalene;bis(2,3-ditert-butylpyridine);3,4-ditert-butylpyridine;5,6-ditert-butylquinoline;2,3-ditert-butylthiophene
SMILESCC(C)(C)c1cc2c(cc1C(C)(C)C)OCC(=O)N2.CC(C)(C)c1cc2c(cc1C(C)(C)C)OCCO2.CC(C)(C)c1cc2c(cc1C(C)(C)C)OCO2.CC(C)(C)c1ccc2[nH]ccc2c1C(C)(C)C.CC(C)(C)c1ccc2[nH]cnc2c1C(C)(C)C.CC(C)(C)c1ccc2ccccc2c1C(C)(C)C.CC(C)(C)c1ccc2ncccc2c1C(C)(C)C.CC(C)(C)c1ccc2oc(=O)ccc2c1C(C)(C)C.CC(C)(C)c1cccnc1C(C)(C)C.CC(C)(C)c1cccnc1C(C)(C)C.CC(C)(C)c1ccncc1C(C)(C)C.CC(C)(C)c1ccsc1C(C)(C)C
InChIInChI=1S/C18H24.C17H23N.C17H22O2.C16H23NO2.C16H23N.C16H24O2.C15H22N2.C15H22O2.3C13H21N.C12H20S/c1-17(2,3)15-12-11-13-9-7-8-10-14(13)16(15)18(4,5)6;1-16(2,3)13-9-10-14-12(8-7-11-18-14)15(13)17(4,5)6;1-16(2,3)12-8-9-13-11(7-10-14(18)19-13)15(12)17(4,5)6;1-15(2,3)10-7-12-13(19-9-14(18)17-12)8-11(10)16(4,5)6;1-15(2,3)12-7-8-13-11(9-10-17-13)14(12)16(4,5)6;1-15(2,3)11-9-13-14(18-8-7-17-13)10-12(11)16(4,5)6;1-14(2,3)10-7-8-11-13(17-9-16-11)12(10)15(4,5)6;1-14(2,3)10-7-12-13(17-9-16-12)8-11(10)15(4,5)6;1-12(2,3)10-7-8-14-9-11(10)13(4,5)6;2*1-12(2,3)10-8-7-9-14-11(10)13(4,5)6;1-11(2,3)9-7-8-13-10(9)12(4,5)6/h7-12H,1-6H3;7-11H,1-6H3;7-10H,1-6H3;7-8H,9H2,1-6H3,(H,17,18);7-10,17H,1-6H3;9-10H,7-8H2,1-6H3;7-9H,1-6H3,(H,16,17);7-8H,9H2,1-6H3;3*7-9H,1-6H3;7-8H,1-6H3
InChIKeyFVWOWSDODXLDHW-UHFFFAOYSA-N
MW2714.23 g/mol
LogP50.62
Rot. Bonds

About 4,5-ditert-butyl-1H-benzimidazole;5,6-ditert-butyl-1,3-benzodioxole;6,7-ditert-butyl-4H-1,4-benzoxazin-3-one;5,6-ditert-butylchromen-2-one;6,7-ditert-butyl-2,3-dihydro-1,4-benzodioxine;4,5-ditert-butyl-1H-indole;1,2-ditert-butylnaphthalene;bis(2,3-ditert-butylpyridine);3,4-ditert-butylpyridine;5,6-ditert-butylquinoline;2,3-ditert-butylthiophene

4,5-ditert-butyl-1H-benzimidazole;5,6-ditert-butyl-1,3-benzodioxole;6,7-ditert-butyl-4H-1,4-benzoxazin-3-one;5,6-ditert-butylchromen-2-one;6,7-ditert-butyl-2,3-dihydro-1,4-benzodioxine;4,5-ditert-butyl-1H-indole;1,2-ditert-butylnaphthalene;bis(2,3-ditert-butylpyridine);3,4-ditert-butylpyridine;5,6-ditert-butylquinoline;2,3-ditert-butylthiophene (PubChem CID 158157622) has the molecular formula C181H266N8O8S and a molecular weight of 2714.23 g/mol. Its IUPAC name is 4,5-ditert-butyl-1H-benzimidazole;5,6-ditert-butyl-1,3-benzodioxole;6,7-ditert-butyl-4H-1,4-benzoxazin-3-one;5,6-ditert-butylchromen-2-one;6,7-ditert-butyl-2,3-dihydro-1,4-benzodioxine;4,5-ditert-butyl-1H-indole;1,2-ditert-butylnaphthalene;bis(2,3-ditert-butylpyridine);3,4-ditert-butylpyridine;5,6-ditert-butylquinoline;2,3-ditert-butylthiophene.

Molecular Properties

Compound Name4,5-ditert-butyl-1H-benzimidazole;5,6-ditert-butyl-1,3-benzodioxole;6,7-ditert-butyl-4H-1,4-benzoxazin-3-one;5,6-ditert-butylchromen-2-one;6,7-ditert-butyl-2,3-dihydro-1,4-benzodioxine;4,5-ditert-butyl-1H-indole;1,2-ditert-butylnaphthalene;bis(2,3-ditert-butylpyridine);3,4-ditert-butylpyridine;5,6-ditert-butylquinoline;2,3-ditert-butylthiophene
PubChem CID158157622
Molecular FormulaC181H266N8O8S
Molecular Weight2714.23 g/mol
Exact Mass2712.04
IUPAC Name4,5-ditert-butyl-1H-benzimidazole;5,6-ditert-butyl-1,3-benzodioxole;6,7-ditert-butyl-4H-1,4-benzoxazin-3-one;5,6-ditert-butylchromen-2-one;6,7-ditert-butyl-2,3-dihydro-1,4-benzodioxine;4,5-ditert-butyl-1H-indole;1,2-ditert-butylnaphthalene;bis(2,3-ditert-butylpyridine);3,4-ditert-butylpyridine;5,6-ditert-butylquinoline;2,3-ditert-butylthiophene
SMILESCC(C)(C)c1cc2c(cc1C(C)(C)C)OCC(=O)N2.CC(C)(C)c1cc2c(cc1C(C)(C)C)OCCO2.CC(C)(C)c1cc2c(cc1C(C)(C)C)OCO2.CC(C)(C)c1ccc2[nH]ccc2c1C(C)(C)C.CC(C)(C)c1ccc2[nH]cnc2c1C(C)(C)C.CC(C)(C)c1ccc2ccccc2c1C(C)(C)C.CC(C)(C)c1ccc2ncccc2c1C(C)(C)C.CC(C)(C)c1ccc2oc(=O)ccc2c1C(C)(C)C.CC(C)(C)c1cccnc1C(C)(C)C.CC(C)(C)c1cccnc1C(C)(C)C.CC(C)(C)c1ccncc1C(C)(C)C.CC(C)(C)c1ccsc1C(C)(C)C
InChIInChI=1S/C18H24.C17H23N.C17H22O2.C16H23NO2.C16H23N.C16H24O2.C15H22N2.C15H22O2.3C13H21N.C12H20S/c1-17(2,3)15-12-11-13-9-7-8-10-14(13)16(15)18(4,5)6;1-16(2,3)13-9-10-14-12(8-7-11-18-14)15(13)17(4,5)6;1-16(2,3)12-8-9-13-11(7-10-14(18)19-13)15(12)17(4,5)6;1-15(2,3)10-7-12-13(19-9-14(18)17-12)8-11(10)16(4,5)6;1-15(2,3)12-7-8-13-11(9-10-17-13)14(12)16(4,5)6;1-15(2,3)11-9-13-14(18-8-7-17-13)10-12(11)16(4,5)6;1-14(2,3)10-7-8-11-13(17-9-16-11)12(10)15(4,5)6;1-14(2,3)10-7-12-13(17-9-16-12)8-11(10)15(4,5)6;1-12(2,3)10-7-8-14-9-11(10)13(4,5)6;2*1-12(2,3)10-8-7-9-14-11(10)13(4,5)6;1-11(2,3)9-7-8-13-10(9)12(4,5)6/h7-12H,1-6H3;7-11H,1-6H3;7-10H,1-6H3;7-8H,9H2,1-6H3,(H,17,18);7-10,17H,1-6H3;9-10H,7-8H2,1-6H3;7-9H,1-6H3,(H,16,17);7-8H,9H2,1-6H3;3*7-9H,1-6H3;7-8H,1-6H3
InChIKeyFVWOWSDODXLDHW-UHFFFAOYSA-N
XLogP50.62
TPSA201.49 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002714.23
LogP ≤ 550.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 4,5-ditert-butyl-1H-benzimidazole;5,6-ditert-butyl-1,3-benzodioxole;6,7-ditert-butyl-4H-1,4-benzoxazin-3-one;5,6-ditert-butylchromen-2-one;6,7-ditert-butyl-2,3-dihydro-1,4-benzodioxine;4,5-ditert-butyl-1H-indole;1,2-ditert-butylnaphthalene;bis(2,3-ditert-butylpyridine);3,4-ditert-butylpyridine;5,6-ditert-butylquinoline;2,3-ditert-butylthiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2-(2-cyclohexylethyl)pyridine;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;3-tert-butyl-1-methylindole;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;4-tert-butyl-2-(2-piperidin-2-ylethyl)pyridine;4-tert-butyl-2-(2-piperidin-4-ylethyl)pyridine;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]morpholine;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene
CID 157659133
1-methylbenzimidazole;5-methyl-1,3-benzodioxole;3-methyl-1-benzofuran;3-methyl-1-benzothiophene;4-methylchromen-2-one;6-methyl-2,3-dihydro-1,4-benzodioxine;4-methyl-3,4-dihydro-2H-chromene;3-methyl-1H-indole;4-methylisoquinoline;4-methylquinoline;4-methyl-1H-quinolin-2-one
CID 158919004
6-(4-tert-butylphenyl)-1H-benzimidazole;7-(4-tert-butylphenyl)-2H-1,4-benzothiazine;7-(4-tert-butylphenyl)-2H-1,4-benzoxazine;6-(4-tert-butylphenyl)-2,3-dihydro-1,4-benzodioxine;7-(4-tert-butylphenyl)-3,4-dihydro-2H-1,4-benzothiazine;7-(4-tert-butylphenyl)-3,4-dihydro-2H-1,4-benzoxazine;6-(4-tert-butylphenyl)quinoxaline;6-(4-tert-butylphenyl)-1,2,3,4-tetrahydroquinoline
CID 159053639
5-tert-butyl-1,3-benzodioxole;6-tert-butyl-4H-1,4-benzothiazin-3-one;6-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;6-tert-butyl-7-fluoro-4H-1,4-benzothiazin-3-one;2-tert-butylnaphthalene;6-tert-butyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;6-tert-butyl-4H-pyrido[3,2-b][1,4]thiazin-3-one;2-tert-butylquinoxaline;2-tert-butylsulfanylthiophene;[(E)-3,3-dimethylbut-1-enyl]benzene;2-[(E)-3,3-dimethylbut-1-enyl]-1,4-difluorobenzene;2-[(E)-3,3-dimethylbut-1-enyl]pyridine
CID 159395521
4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2-(2-cyclohexylethyl)pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;3-tert-butyl-1-methylindole;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;4-tert-butyl-2-(2-piperidin-2-ylethyl)pyridine;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]morpholine;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene
CID 159904627
6-(4-tert-butylphenyl)-1H-benzimidazole;7-(4-tert-butylphenyl)-2H-1,4-benzoxazine;6-(4-tert-butylphenyl)-2,3-dihydro-1,4-benzodioxine;7-(4-tert-butylphenyl)-3,4-dihydro-2H-1,4-benzothiazine;7-(4-tert-butylphenyl)-3,4-dihydro-2H-1,4-benzoxazine;6-(4-tert-butylphenyl)quinoxaline;6-(4-tert-butylphenyl)-1,2,3,4-tetrahydroquinoline
CID 160115047
5-tert-butyl-1,3-benzodioxole;2-tert-butyl-1-benzofuran;5-tert-butyl-2,1,3-benzothiadiazole;6-tert-butyl-4H-1,4-benzothiazin-3-one;6-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-3H-1,3-benzoxazol-2-one;7-tert-butyl-3,4-dihydro-2H-1,5-benzodioxepine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;6-tert-butyl-7-fluoro-4H-1,4-benzothiazin-3-one;2-tert-butyl-1-methylindole;2-tert-butylnaphthalene;6-tert-butyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;6-tert-butyl-4H-pyrido[3,2-b][1,4]thiazin-3-one;2-tert-butylquinoxaline;2-tert-butylsulfanylthiophene;[(E)-3,3-dimethylbut-1-enyl]benzene;2-[(E)-3,3-dimethylbut-1-enyl]furan;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;3,3-dimethylbutylbenzene;2,2-dimethylpropoxybenzene
CID 160170635
4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2-(2-cyclohexylethyl)pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;3-tert-butyl-1-methylindole;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;4-tert-butyl-2-(2-piperidin-2-ylethyl)pyridine;4-tert-butyl-2-(2-piperidin-4-ylethyl)pyridine;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]morpholine;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene
CID 160741089
4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;2-tert-butyl-5-methoxy-1-benzofuran;2-tert-butyl-6-methoxynaphthalene;3-tert-butyl-1-methylindole;[4-[(3-tert-butylphenyl)methyl]-1-methylpiperazin-2-yl]methanol;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene
CID 162015783
4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2-(2-cyclohexylethyl)pyridine;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;2-tert-butyl-1-methylindole;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;4-tert-butyl-2-(2-piperidin-2-ylethyl)pyridine;4-tert-butyl-2-(2-piperidin-4-ylethyl)pyridine;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]morpholine;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene
CID 162025650
1-tert-butyl-2-propan-2-ylbenzene;5-tert-butyl-6-propan-2-yl-1,3-benzodioxole;6-tert-butyl-7-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-3-propan-2-ylnaphthalene;7-tert-butyl-6-propan-2-ylquinoline;2,3-ditert-butylpyridine;5,6-di(propan-2-yl)-1H-benzimidazole;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;5,6-di(propan-2-yl)-1H-indole;5,6-di(propan-2-yl)-1H-isoindole;6,7-di(propan-2-yl)quinoxaline
CID 164982286
N-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]-6-methylpyridine-3-carboxamide;N-[3-[4-(1-benzothiophen-2-yl)phenyl]propyl]-6-methylpyridine-3-carboxamide;1,4-dimethyl-N-[3-[4-(3-oxo-4H-1,4-benzoxazin-7-yl)phenyl]propyl]pyrrole-2-carboxamide;2-methyl-N-[3-[4-(3-oxo-4H-1,4-benzoxazin-7-yl)phenyl]propyl]benzamide;6-methyl-N-[3-[4-(2-oxo-1H-quinolin-6-yl)phenyl]propyl]pyridine-3-carboxamide;2-(4-methylphenyl)-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]acetamide
CID 165098824

Frequently Asked Questions

What is the IUPAC name of 4,5-ditert-butyl-1H-benzimidazole;5,6-ditert-butyl-1,3-benzodioxole;6,7-ditert-butyl-4H-1,4-benzoxazin-3-one;5,6-ditert-butylchromen-2-one;6,7-ditert-butyl-2,3-dihydro-1,4-benzodioxine;4,5-ditert-butyl-1H-indole;1,2-ditert-butylnaphthalene;bis(2,3-ditert-butylpyridine);3,4-ditert-butylpyridine;5,6-ditert-butylquinoline;2,3-ditert-butylthiophene?
The IUPAC name of 4,5-ditert-butyl-1H-benzimidazole;5,6-ditert-butyl-1,3-benzodioxole;6,7-ditert-butyl-4H-1,4-benzoxazin-3-one;5,6-ditert-butylchromen-2-one;6,7-ditert-butyl-2,3-dihydro-1,4-benzodioxine;4,5-ditert-butyl-1H-indole;1,2-ditert-butylnaphthalene;bis(2,3-ditert-butylpyridine);3,4-ditert-butylpyridine;5,6-ditert-butylquinoline;2,3-ditert-butylthiophene (CID 158157622) is 4,5-ditert-butyl-1H-benzimidazole;5,6-ditert-butyl-1,3-benzodioxole;6,7-ditert-butyl-4H-1,4-benzoxazin-3-one;5,6-ditert-butylchromen-2-one;6,7-ditert-butyl-2,3-dihydro-1,4-benzodioxine;4,5-ditert-butyl-1H-indole;1,2-ditert-butylnaphthalene;bis(2,3-ditert-butylpyridine);3,4-ditert-butylpyridine;5,6-ditert-butylquinoline;2,3-ditert-butylthiophene.
What is the SMILES notation for 4,5-ditert-butyl-1H-benzimidazole;5,6-ditert-butyl-1,3-benzodioxole;6,7-ditert-butyl-4H-1,4-benzoxazin-3-one;5,6-ditert-butylchromen-2-one;6,7-ditert-butyl-2,3-dihydro-1,4-benzodioxine;4,5-ditert-butyl-1H-indole;1,2-ditert-butylnaphthalene;bis(2,3-ditert-butylpyridine);3,4-ditert-butylpyridine;5,6-ditert-butylquinoline;2,3-ditert-butylthiophene?
The canonical SMILES for 4,5-ditert-butyl-1H-benzimidazole;5,6-ditert-butyl-1,3-benzodioxole;6,7-ditert-butyl-4H-1,4-benzoxazin-3-one;5,6-ditert-butylchromen-2-one;6,7-ditert-butyl-2,3-dihydro-1,4-benzodioxine;4,5-ditert-butyl-1H-indole;1,2-ditert-butylnaphthalene;bis(2,3-ditert-butylpyridine);3,4-ditert-butylpyridine;5,6-ditert-butylquinoline;2,3-ditert-butylthiophene is CC(C)(C)c1cc2c(cc1C(C)(C)C)OCC(=O)N2.CC(C)(C)c1cc2c(cc1C(C)(C)C)OCCO2.CC(C)(C)c1cc2c(cc1C(C)(C)C)OCO2.CC(C)(C)c1ccc2[nH]ccc2c1C(C)(C)C.CC(C)(C)c1ccc2[nH]cnc2c1C(C)(C)C.CC(C)(C)c1ccc2ccccc2c1C(C)(C)C.CC(C)(C)c1ccc2ncccc2c1C(C)(C)C.CC(C)(C)c1ccc2oc(=O)ccc2c1C(C)(C)C.CC(C)(C)c1cccnc1C(C)(C)C.CC(C)(C)c1cccnc1C(C)(C)C.CC(C)(C)c1ccncc1C(C)(C)C.CC(C)(C)c1ccsc1C(C)(C)C.
What is the InChIKey of 4,5-ditert-butyl-1H-benzimidazole;5,6-ditert-butyl-1,3-benzodioxole;6,7-ditert-butyl-4H-1,4-benzoxazin-3-one;5,6-ditert-butylchromen-2-one;6,7-ditert-butyl-2,3-dihydro-1,4-benzodioxine;4,5-ditert-butyl-1H-indole;1,2-ditert-butylnaphthalene;bis(2,3-ditert-butylpyridine);3,4-ditert-butylpyridine;5,6-ditert-butylquinoline;2,3-ditert-butylthiophene?
The InChIKey is FVWOWSDODXLDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24.C17H23N.C17H22O2.C16H23NO2.C16H23N.C16H24O2.C15H22N2.C15H22O2.3C13H21N.C12H20S/c1-17(2,3)15-12-11-13-9-7-8-10-14(13)16(15)18(4,5)6;1-16(2,3)13-9-10-14-12(8-7-11-18-14)15(13)17(4,5)6;1-16(2,3)12-8-9-13-11(7-10-14(18)19-13)15(12)17(4,5)6;1-15(2,3)10-7-12-13(19-9-14(18)17-12)8-11(10)16(4,5)6;1-15(2,3)12-7-8-13-11(9-10-17-13)14(12)16(4,5)6;1-15(2,3)11-9-13-14(18-8-7-17-13)10-12(11)16(4,5)6;1-14(2,3)10-7-8-11-13(17-9-16-11)12(10)15(4,5)6;1-14(2,3)10-7-12-13(17-9-16-12)8-11(10)15(4,5)6;1-12(2,3)10-7-8-14-9-11(10)13(4,5)6;2*1-12(2,3)10-8-7-9-14-11(10)13(4,5)6;1-11(2,3)9-7-8-13-10(9)12(4,5)6/h7-12H,1-6H3;7-11H,1-6H3;7-10H,1-6H3;7-8H,9H2,1-6H3,(H,17,18);7-10,17H,1-6H3;9-10H,7-8H2,1-6H3;7-9H,1-6H3,(H,16,17);7-8H,9H2,1-6H3;3*7-9H,1-6H3;7-8H,1-6H3.
What are the key properties of 4,5-ditert-butyl-1H-benzimidazole;5,6-ditert-butyl-1,3-benzodioxole;6,7-ditert-butyl-4H-1,4-benzoxazin-3-one;5,6-ditert-butylchromen-2-one;6,7-ditert-butyl-2,3-dihydro-1,4-benzodioxine;4,5-ditert-butyl-1H-indole;1,2-ditert-butylnaphthalene;bis(2,3-ditert-butylpyridine);3,4-ditert-butylpyridine;5,6-ditert-butylquinoline;2,3-ditert-butylthiophene?
4,5-ditert-butyl-1H-benzimidazole;5,6-ditert-butyl-1,3-benzodioxole;6,7-ditert-butyl-4H-1,4-benzoxazin-3-one;5,6-ditert-butylchromen-2-one;6,7-ditert-butyl-2,3-dihydro-1,4-benzodioxine;4,5-ditert-butyl-1H-indole;1,2-ditert-butylnaphthalene;bis(2,3-ditert-butylpyridine);3,4-ditert-butylpyridine;5,6-ditert-butylquinoline;2,3-ditert-butylthiophene has a molecular weight of 2714.23 g/mol, XLogP of 50.62, 0 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-ditert-butyl-1H-benzimidazole;5,6-ditert-butyl-1,3-benzodioxole;6,7-ditert-butyl-4H-1,4-benzoxazin-3-one;5,6-ditert-butylchromen-2-one;6,7-ditert-butyl-2,3-dihydro-1,4-benzodioxine;4,5-ditert-butyl-1H-indole;1,2-ditert-butylnaphthalene;bis(2,3-ditert-butylpyridine);3,4-ditert-butylpyridine;5,6-ditert-butylquinoline;2,3-ditert-butylthiophene is sourced from PubChem (CID 158157622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).