9-tert-butylacridine;6-tert-butyl-4-chloro-1,3-benzothiazole;6-tert-butyl-4-chloro-1H-isoindole;6-tert-butyl-4-chloro-2-methylidene-1,3-dihydroindene;5-tert-butyl-4,6-di(propan-2-yl)pyrimidine;5-tert-butyl-3H-indazole;4-tert-butyl-3-methylquinoline;5-tert-butylpyrazolo[1,5-a]pyridine;9-tert-butyl-1,2,3,4-tetrahydroacridine;1-(2,2-dimethylpropyl)-3,5-difluorobenzene

C132H164Cl3F2N11S — CID 158156334

IUPAC9-tert-butylacridine;6-tert-butyl-4-chloro-1,3-benzothiazole;6-tert-butyl-4-chloro-1H-isoindole;6-tert-butyl-4-chloro-2-methylidene-1,3-dihydroindene;5-tert-butyl-4,6-di(propan-2-yl)pyrimidine;5-tert-butyl-3H-indazole;4-tert-butyl-3-methylquinoline;5-tert-butylpyrazolo[1,5-a]pyridine;9-tert-butyl-1,2,3,4-tetrahydroacridine;1-(2,2-dimethylpropyl)-3,5-difluorobenzene
SMILESC=C1Cc2cc(C(C)(C)C)cc(Cl)c2C1.CC(C)(C)Cc1cc(F)cc(F)c1.CC(C)(C)c1c2c(nc3ccccc13)CCCC2.CC(C)(C)c1c2ccccc2nc2ccccc12.CC(C)(C)c1cc(Cl)c2c(c1)CN=C2.CC(C)(C)c1cc(Cl)c2ncsc2c1.CC(C)(C)c1ccc2c(c1)CN=N2.CC(C)(C)c1ccn2nccc2c1.CC(C)c1ncnc(C(C)C)c1C(C)(C)C.Cc1cnc2ccccc2c1C(C)(C)C
InChIInChI=1S/C17H21N.C17H17N.C14H17Cl.C14H24N2.C14H17N.C12H14ClN.C11H12ClNS.C11H14F2.2C11H14N2/c2*1-17(2,3)16-12-8-4-6-10-14(12)18-15-11-7-5-9-13(15)16;1-9-5-10-7-11(14(2,3)4)8-13(15)12(10)6-9;1-9(2)12-11(14(5,6)7)13(10(3)4)16-8-15-12;1-10-9-15-12-8-6-5-7-11(12)13(10)14(2,3)4;1-12(2,3)9-4-8-6-14-7-10(8)11(13)5-9;1-11(2,3)7-4-8(12)10-9(5-7)14-6-13-10;1-11(2,3)7-8-4-9(12)6-10(13)5-8;1-11(2,3)9-5-7-13-10(8-9)4-6-12-13;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10/h4,6,8,10H,5,7,9,11H2,1-3H3;4-11H,1-3H3;7-8H,1,5-6H2,2-4H3;8-10H,1-7H3;5-9H,1-4H3;4-5,7H,6H2,1-3H3;4-6H,1-3H3;4-6H,7H2,1-3H3;4-8H,1-3H3;4-6H,7H2,1-3H3
InChIKeyFVSTURZNKDACBK-UHFFFAOYSA-N
MW2081.26 g/mol
LogP38.83
Rot. Bonds3

About 9-tert-butylacridine;6-tert-butyl-4-chloro-1,3-benzothiazole;6-tert-butyl-4-chloro-1H-isoindole;6-tert-butyl-4-chloro-2-methylidene-1,3-dihydroindene;5-tert-butyl-4,6-di(propan-2-yl)pyrimidine;5-tert-butyl-3H-indazole;4-tert-butyl-3-methylquinoline;5-tert-butylpyrazolo[1,5-a]pyridine;9-tert-butyl-1,2,3,4-tetrahydroacridine;1-(2,2-dimethylpropyl)-3,5-difluorobenzene

9-tert-butylacridine;6-tert-butyl-4-chloro-1,3-benzothiazole;6-tert-butyl-4-chloro-1H-isoindole;6-tert-butyl-4-chloro-2-methylidene-1,3-dihydroindene;5-tert-butyl-4,6-di(propan-2-yl)pyrimidine;5-tert-butyl-3H-indazole;4-tert-butyl-3-methylquinoline;5-tert-butylpyrazolo[1,5-a]pyridine;9-tert-butyl-1,2,3,4-tetrahydroacridine;1-(2,2-dimethylpropyl)-3,5-difluorobenzene (PubChem CID 158156334) has the molecular formula C132H164Cl3F2N11S and a molecular weight of 2081.26 g/mol. Its IUPAC name is 9-tert-butylacridine;6-tert-butyl-4-chloro-1,3-benzothiazole;6-tert-butyl-4-chloro-1H-isoindole;6-tert-butyl-4-chloro-2-methylidene-1,3-dihydroindene;5-tert-butyl-4,6-di(propan-2-yl)pyrimidine;5-tert-butyl-3H-indazole;4-tert-butyl-3-methylquinoline;5-tert-butylpyrazolo[1,5-a]pyridine;9-tert-butyl-1,2,3,4-tetrahydroacridine;1-(2,2-dimethylpropyl)-3,5-difluorobenzene.

Molecular Properties

Compound Name9-tert-butylacridine;6-tert-butyl-4-chloro-1,3-benzothiazole;6-tert-butyl-4-chloro-1H-isoindole;6-tert-butyl-4-chloro-2-methylidene-1,3-dihydroindene;5-tert-butyl-4,6-di(propan-2-yl)pyrimidine;5-tert-butyl-3H-indazole;4-tert-butyl-3-methylquinoline;5-tert-butylpyrazolo[1,5-a]pyridine;9-tert-butyl-1,2,3,4-tetrahydroacridine;1-(2,2-dimethylpropyl)-3,5-difluorobenzene
PubChem CID158156334
Molecular FormulaC132H164Cl3F2N11S
Molecular Weight2081.26 g/mol
Exact Mass2078.19
IUPAC Name9-tert-butylacridine;6-tert-butyl-4-chloro-1,3-benzothiazole;6-tert-butyl-4-chloro-1H-isoindole;6-tert-butyl-4-chloro-2-methylidene-1,3-dihydroindene;5-tert-butyl-4,6-di(propan-2-yl)pyrimidine;5-tert-butyl-3H-indazole;4-tert-butyl-3-methylquinoline;5-tert-butylpyrazolo[1,5-a]pyridine;9-tert-butyl-1,2,3,4-tetrahydroacridine;1-(2,2-dimethylpropyl)-3,5-difluorobenzene
SMILESC=C1Cc2cc(C(C)(C)C)cc(Cl)c2C1.CC(C)(C)Cc1cc(F)cc(F)c1.CC(C)(C)c1c2c(nc3ccccc13)CCCC2.CC(C)(C)c1c2ccccc2nc2ccccc12.CC(C)(C)c1cc(Cl)c2c(c1)CN=C2.CC(C)(C)c1cc(Cl)c2ncsc2c1.CC(C)(C)c1ccc2c(c1)CN=N2.CC(C)(C)c1ccn2nccc2c1.CC(C)c1ncnc(C(C)C)c1C(C)(C)C.Cc1cnc2ccccc2c1C(C)(C)C
InChIInChI=1S/C17H21N.C17H17N.C14H17Cl.C14H24N2.C14H17N.C12H14ClN.C11H12ClNS.C11H14F2.2C11H14N2/c2*1-17(2,3)16-12-8-4-6-10-14(12)18-15-11-7-5-9-13(15)16;1-9-5-10-7-11(14(2,3)4)8-13(15)12(10)6-9;1-9(2)12-11(14(5,6)7)13(10(3)4)16-8-15-12;1-10-9-15-12-8-6-5-7-11(12)13(10)14(2,3)4;1-12(2,3)9-4-8-6-14-7-10(8)11(13)5-9;1-11(2,3)7-4-8(12)10-9(5-7)14-6-13-10;1-11(2,3)7-8-4-9(12)6-10(13)5-8;1-11(2,3)9-5-7-13-10(8-9)4-6-12-13;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10/h4,6,8,10H,5,7,9,11H2,1-3H3;4-11H,1-3H3;7-8H,1,5-6H2,2-4H3;8-10H,1-7H3;5-9H,1-4H3;4-5,7H,6H2,1-3H3;4-6H,1-3H3;4-6H,7H2,1-3H3;4-8H,1-3H3;4-6H,7H2,1-3H3
InChIKeyFVSTURZNKDACBK-UHFFFAOYSA-N
XLogP38.83
TPSA131.72 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002081.26
LogP ≤ 538.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-tert-butylacridine;6-tert-butyl-4-chloro-1,3-benzothiazole;6-tert-butyl-4-chloro-1H-isoindole;6-tert-butyl-4-chloro-2-methylidene-1,3-dihydroindene;5-tert-butyl-4,6-di(propan-2-yl)pyrimidine;5-tert-butyl-3H-indazole;4-tert-butyl-3-methylquinoline;5-tert-butylpyrazolo[1,5-a]pyridine;9-tert-butyl-1,2,3,4-tetrahydroacridine;1-(2,2-dimethylpropyl)-3,5-difluorobenzene with MolForge

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Related Compounds

1-Bromo-2-tert-butyl-3-propan-2-ylbenzene;tert-butylbenzene;6-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-1-cyclopropyl-3-methylbenzene;bis(2-tert-butyl-1,3-dimethylbenzene);2-tert-butyl-1,3-di(propan-2-yl)benzene;5-tert-butyl-4,6-di(propan-2-yl)pyrimidine;1-tert-butyl-3-fluoro-5-methylbenzene;2-tert-butyl-1-fluoro-3-propan-2-ylbenzene;3-tert-butyl-5-methylbenzonitrile;bis(2-tert-butyl-4-methylpyridine);2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-5-methylpyridine;5-tert-butylpyrazolo[1,5-a]pyridine;2-tert-butylpyridine;1,2-ditert-butyl-3-methylbenzene
CID 157337742
6-[5-Amino-3-(4-fluorophenyl)pyrazin-2-yl]-4-chloro-1,3-benzothiazol-2-amine;3-amino-5-(3-methylpyrrol-1-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;5-(4-chloro-2-propan-2-yl-1,3-benzothiazol-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine;5-(4-chloro-2-propan-2-yl-1,3-benzothiazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;6-(3-methylpyrrol-1-yl)-5-quinolin-6-ylpyrazin-2-amine
CID 157543386
6-[2-(5-Chloro-2,4-difluorophenyl)-3-pyridinyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-[2-(2,4-difluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;4-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]quinoline
CID 158123856
8-(1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;8-(3-chloro-2H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;8-(7-chloro-1H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;5-(2-chloro-6-methyl-4-pyridinyl)-6-(4-fluorophenyl)-1,7-naphthyridin-8-amine;8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-5-amine
CID 159407872
tert-butylbenzene;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1H-indene;7-tert-butylisoquinoline;5-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;2-tert-butylnaphthalene;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;3-tert-butylquinoline;6-tert-butylquinoline;ethane
CID 161774187
6-tert-butyl-4-chloro-1H-indene;6-tert-butyl-4-chloro-2-methylidene-1,3-dihydroindene;2-tert-butyl-4,6-dimethyl-1,3-benzothiazole;4-tert-butyl-3,5-dimethyl-2H-pyrrole;2-tert-butyl-1-ethylbenzimidazole;5-tert-butyl-3H-indole;2-tert-butyl-6-methylpyridine;4-tert-butyl-6-methylpyrimidine;4-tert-butyl-3-methylquinoline;9-tert-butyl-1,2,3,4-tetrahydroacridine;5-tert-butylthiophene-2-carbonitrile
CID 161886245
6-[2-(5-Chloro-2,4-difluorophenyl)-3-pyridinyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-[2-(3-chlorophenyl)-3-pyridinyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-[2-(2,4-difluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;4-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]quinoline
CID 161990839

Frequently Asked Questions

What is the IUPAC name of 9-tert-butylacridine;6-tert-butyl-4-chloro-1,3-benzothiazole;6-tert-butyl-4-chloro-1H-isoindole;6-tert-butyl-4-chloro-2-methylidene-1,3-dihydroindene;5-tert-butyl-4,6-di(propan-2-yl)pyrimidine;5-tert-butyl-3H-indazole;4-tert-butyl-3-methylquinoline;5-tert-butylpyrazolo[1,5-a]pyridine;9-tert-butyl-1,2,3,4-tetrahydroacridine;1-(2,2-dimethylpropyl)-3,5-difluorobenzene?
The IUPAC name of 9-tert-butylacridine;6-tert-butyl-4-chloro-1,3-benzothiazole;6-tert-butyl-4-chloro-1H-isoindole;6-tert-butyl-4-chloro-2-methylidene-1,3-dihydroindene;5-tert-butyl-4,6-di(propan-2-yl)pyrimidine;5-tert-butyl-3H-indazole;4-tert-butyl-3-methylquinoline;5-tert-butylpyrazolo[1,5-a]pyridine;9-tert-butyl-1,2,3,4-tetrahydroacridine;1-(2,2-dimethylpropyl)-3,5-difluorobenzene (CID 158156334) is 9-tert-butylacridine;6-tert-butyl-4-chloro-1,3-benzothiazole;6-tert-butyl-4-chloro-1H-isoindole;6-tert-butyl-4-chloro-2-methylidene-1,3-dihydroindene;5-tert-butyl-4,6-di(propan-2-yl)pyrimidine;5-tert-butyl-3H-indazole;4-tert-butyl-3-methylquinoline;5-tert-butylpyrazolo[1,5-a]pyridine;9-tert-butyl-1,2,3,4-tetrahydroacridine;1-(2,2-dimethylpropyl)-3,5-difluorobenzene.
What is the SMILES notation for 9-tert-butylacridine;6-tert-butyl-4-chloro-1,3-benzothiazole;6-tert-butyl-4-chloro-1H-isoindole;6-tert-butyl-4-chloro-2-methylidene-1,3-dihydroindene;5-tert-butyl-4,6-di(propan-2-yl)pyrimidine;5-tert-butyl-3H-indazole;4-tert-butyl-3-methylquinoline;5-tert-butylpyrazolo[1,5-a]pyridine;9-tert-butyl-1,2,3,4-tetrahydroacridine;1-(2,2-dimethylpropyl)-3,5-difluorobenzene?
The canonical SMILES for 9-tert-butylacridine;6-tert-butyl-4-chloro-1,3-benzothiazole;6-tert-butyl-4-chloro-1H-isoindole;6-tert-butyl-4-chloro-2-methylidene-1,3-dihydroindene;5-tert-butyl-4,6-di(propan-2-yl)pyrimidine;5-tert-butyl-3H-indazole;4-tert-butyl-3-methylquinoline;5-tert-butylpyrazolo[1,5-a]pyridine;9-tert-butyl-1,2,3,4-tetrahydroacridine;1-(2,2-dimethylpropyl)-3,5-difluorobenzene is C=C1Cc2cc(C(C)(C)C)cc(Cl)c2C1.CC(C)(C)Cc1cc(F)cc(F)c1.CC(C)(C)c1c2c(nc3ccccc13)CCCC2.CC(C)(C)c1c2ccccc2nc2ccccc12.CC(C)(C)c1cc(Cl)c2c(c1)CN=C2.CC(C)(C)c1cc(Cl)c2ncsc2c1.CC(C)(C)c1ccc2c(c1)CN=N2.CC(C)(C)c1ccn2nccc2c1.CC(C)c1ncnc(C(C)C)c1C(C)(C)C.Cc1cnc2ccccc2c1C(C)(C)C.
What is the InChIKey of 9-tert-butylacridine;6-tert-butyl-4-chloro-1,3-benzothiazole;6-tert-butyl-4-chloro-1H-isoindole;6-tert-butyl-4-chloro-2-methylidene-1,3-dihydroindene;5-tert-butyl-4,6-di(propan-2-yl)pyrimidine;5-tert-butyl-3H-indazole;4-tert-butyl-3-methylquinoline;5-tert-butylpyrazolo[1,5-a]pyridine;9-tert-butyl-1,2,3,4-tetrahydroacridine;1-(2,2-dimethylpropyl)-3,5-difluorobenzene?
The InChIKey is FVSTURZNKDACBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N.C17H17N.C14H17Cl.C14H24N2.C14H17N.C12H14ClN.C11H12ClNS.C11H14F2.2C11H14N2/c2*1-17(2,3)16-12-8-4-6-10-14(12)18-15-11-7-5-9-13(15)16;1-9-5-10-7-11(14(2,3)4)8-13(15)12(10)6-9;1-9(2)12-11(14(5,6)7)13(10(3)4)16-8-15-12;1-10-9-15-12-8-6-5-7-11(12)13(10)14(2,3)4;1-12(2,3)9-4-8-6-14-7-10(8)11(13)5-9;1-11(2,3)7-4-8(12)10-9(5-7)14-6-13-10;1-11(2,3)7-8-4-9(12)6-10(13)5-8;1-11(2,3)9-5-7-13-10(8-9)4-6-12-13;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10/h4,6,8,10H,5,7,9,11H2,1-3H3;4-11H,1-3H3;7-8H,1,5-6H2,2-4H3;8-10H,1-7H3;5-9H,1-4H3;4-5,7H,6H2,1-3H3;4-6H,1-3H3;4-6H,7H2,1-3H3;4-8H,1-3H3;4-6H,7H2,1-3H3.
What are the key properties of 9-tert-butylacridine;6-tert-butyl-4-chloro-1,3-benzothiazole;6-tert-butyl-4-chloro-1H-isoindole;6-tert-butyl-4-chloro-2-methylidene-1,3-dihydroindene;5-tert-butyl-4,6-di(propan-2-yl)pyrimidine;5-tert-butyl-3H-indazole;4-tert-butyl-3-methylquinoline;5-tert-butylpyrazolo[1,5-a]pyridine;9-tert-butyl-1,2,3,4-tetrahydroacridine;1-(2,2-dimethylpropyl)-3,5-difluorobenzene?
9-tert-butylacridine;6-tert-butyl-4-chloro-1,3-benzothiazole;6-tert-butyl-4-chloro-1H-isoindole;6-tert-butyl-4-chloro-2-methylidene-1,3-dihydroindene;5-tert-butyl-4,6-di(propan-2-yl)pyrimidine;5-tert-butyl-3H-indazole;4-tert-butyl-3-methylquinoline;5-tert-butylpyrazolo[1,5-a]pyridine;9-tert-butyl-1,2,3,4-tetrahydroacridine;1-(2,2-dimethylpropyl)-3,5-difluorobenzene has a molecular weight of 2081.26 g/mol, XLogP of 38.83, 3 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butylacridine;6-tert-butyl-4-chloro-1,3-benzothiazole;6-tert-butyl-4-chloro-1H-isoindole;6-tert-butyl-4-chloro-2-methylidene-1,3-dihydroindene;5-tert-butyl-4,6-di(propan-2-yl)pyrimidine;5-tert-butyl-3H-indazole;4-tert-butyl-3-methylquinoline;5-tert-butylpyrazolo[1,5-a]pyridine;9-tert-butyl-1,2,3,4-tetrahydroacridine;1-(2,2-dimethylpropyl)-3,5-difluorobenzene is sourced from PubChem (CID 158156334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).