tert-butylbenzene;6-tert-butyl-1-benzothiophene;1-tert-butyl-2-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;7-tert-butylisoquinoline;bis(1-tert-butyl-3-methylbenzene);5-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene

C143H186F2N6S — CID 159123916

IUPACtert-butylbenzene;6-tert-butyl-1-benzothiophene;1-tert-butyl-2-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;7-tert-butylisoquinoline;bis(1-tert-butyl-3-methylbenzene);5-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)(C)c1ccc2c(c1)CCCC2.CC(C)(C)c1ccc2ccncc2c1.CC(C)(C)c1ccc2ccsc2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1F.CC(C)(C)c1cnc2ccccc2c1.Cc1ccc(C(C)(C)C)cc1F.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cn1ccc2cc(C(C)(C)C)ccc21.Cn1ncc2cc(C(C)(C)C)ccc21
InChIInChI=1S/C14H20.C13H17N.3C13H15N.C12H16N2.C12H14S.C11H15F.2C11H16.C10H13F.C10H14/c1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-5-6-12-10(9-11)7-8-14(12)4;1-13(2,3)12-5-4-10-6-7-14-9-11(10)8-12;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)4;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-8-5-6-9(7-10(8)12)11(2,3)4;2*1-9-6-5-7-10(8-9)11(2,3)4;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)9-7-5-4-6-8-9/h8-10H,4-7H2,1-3H3;5-9H,1-4H3;3*4-9H,1-3H3;5-8H,1-4H3;4-8H,1-3H3;5-7H,1-4H3;2*5-8H,1-4H3;4-7H,1-3H3;4-8H,1-3H3
InChIKeyKGAVJRYHOLRFMS-UHFFFAOYSA-N
MW2059.17 g/mol
LogP41.13
Rot. Bonds

About tert-butylbenzene;6-tert-butyl-1-benzothiophene;1-tert-butyl-2-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;7-tert-butylisoquinoline;bis(1-tert-butyl-3-methylbenzene);5-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene

tert-butylbenzene;6-tert-butyl-1-benzothiophene;1-tert-butyl-2-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;7-tert-butylisoquinoline;bis(1-tert-butyl-3-methylbenzene);5-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 159123916) has the molecular formula C143H186F2N6S and a molecular weight of 2059.17 g/mol. Its IUPAC name is tert-butylbenzene;6-tert-butyl-1-benzothiophene;1-tert-butyl-2-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;7-tert-butylisoquinoline;bis(1-tert-butyl-3-methylbenzene);5-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Nametert-butylbenzene;6-tert-butyl-1-benzothiophene;1-tert-butyl-2-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;7-tert-butylisoquinoline;bis(1-tert-butyl-3-methylbenzene);5-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene
PubChem CID159123916
Molecular FormulaC143H186F2N6S
Molecular Weight2059.17 g/mol
Exact Mass2057.44
IUPAC Nametert-butylbenzene;6-tert-butyl-1-benzothiophene;1-tert-butyl-2-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;7-tert-butylisoquinoline;bis(1-tert-butyl-3-methylbenzene);5-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)(C)c1ccc2c(c1)CCCC2.CC(C)(C)c1ccc2ccncc2c1.CC(C)(C)c1ccc2ccsc2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1F.CC(C)(C)c1cnc2ccccc2c1.Cc1ccc(C(C)(C)C)cc1F.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cn1ccc2cc(C(C)(C)C)ccc21.Cn1ncc2cc(C(C)(C)C)ccc21
InChIInChI=1S/C14H20.C13H17N.3C13H15N.C12H16N2.C12H14S.C11H15F.2C11H16.C10H13F.C10H14/c1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-5-6-12-10(9-11)7-8-14(12)4;1-13(2,3)12-5-4-10-6-7-14-9-11(10)8-12;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)4;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-8-5-6-9(7-10(8)12)11(2,3)4;2*1-9-6-5-7-10(8-9)11(2,3)4;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)9-7-5-4-6-8-9/h8-10H,4-7H2,1-3H3;5-9H,1-4H3;3*4-9H,1-3H3;5-8H,1-4H3;4-8H,1-3H3;5-7H,1-4H3;2*5-8H,1-4H3;4-7H,1-3H3;4-8H,1-3H3
InChIKeyKGAVJRYHOLRFMS-UHFFFAOYSA-N
XLogP41.13
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms152
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002059.17
LogP ≤ 541.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butylbenzene;6-tert-butyl-1-benzothiophene;1-tert-butyl-2-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;7-tert-butylisoquinoline;bis(1-tert-butyl-3-methylbenzene);5-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene with MolForge

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Related Compounds

6-[3-(4-Fluorophenyl)-1-tritylpyrazol-4-yl]-4-(5-methylsulfanylthiophen-2-yl)quinoline
CID 22031798
4-[2-(5-Methylsulfanylthiophen-2-yl)piperidin-1-yl]-6-[3-(trifluoromethyl)-1-tritylpyrazol-4-yl]quinoline
CID 22032266
4-[2-(2-Methylsulfanylphenyl)piperidin-1-yl]-6-[3-(trifluoromethyl)-1-tritylpyrazol-4-yl]quinoline
CID 22928041
4-[2-(3-Methylsulfanylphenyl)piperidin-1-yl]-6-[3-(trifluoromethyl)-1-tritylpyrazol-4-yl]quinoline
CID 22928186
6-[1-[Cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-4-(5-methylsulfanylthiophen-2-yl)quinoline
CID 68815725
8-Butyl-14-[7,8-diethyl-7-methyl-4-(trifluoromethyl)-5,6-diaza-9-azoniatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-yl]-22-methyl-3-thia-15-azoniahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 123469957
15-Methyl-20-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 123694027
14-[[2-(2,9-Dimethylcarbazol-1-yl)-4-methylquinolin-1-ium-1-yl]-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-1-ium-1-yl]methylidene]-22-methyl-3lambda6-thia-15-azoniahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene 3,3-dioxide
CID 123726661
22-Methyl-14-[[4-[4-methyl-1-[2-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-1-ium-1-yl]ethyl]quinolin-1-ium-2-yl]-5,5-dioxodibenzothiophen-3-yl]methyl]-3lambda6-thia-15-azoniahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene 3,3-dioxide
CID 123907901
12-[7,7-Diethyl-4-(trifluoromethyl)-5,6-diaza-10-azoniatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,8,10,12-hexaen-9-yl]-16-thia-11-azoniahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 123970859
2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-4-fluoro-1,6-dimethylindazol-3-yl]-N-methyl-5-thiophen-3-yl-1,4-dihydro-1,7-naphthyridin-4-amine
CID 145037493
2,4-Diethyl-22'-methyl-7-(trifluoromethyl)spiro[5,6-diaza-1-azoniatetracyclo[8.4.0.02,4.05,9]tetradeca-1(14),6,8,10,12-pentaene-3,14'-9-thia-15-azoniahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,11,15(24),16,18,20,22-decaene]
CID 145671434

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;6-tert-butyl-1-benzothiophene;1-tert-butyl-2-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;7-tert-butylisoquinoline;bis(1-tert-butyl-3-methylbenzene);5-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of tert-butylbenzene;6-tert-butyl-1-benzothiophene;1-tert-butyl-2-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;7-tert-butylisoquinoline;bis(1-tert-butyl-3-methylbenzene);5-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene (CID 159123916) is tert-butylbenzene;6-tert-butyl-1-benzothiophene;1-tert-butyl-2-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;7-tert-butylisoquinoline;bis(1-tert-butyl-3-methylbenzene);5-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for tert-butylbenzene;6-tert-butyl-1-benzothiophene;1-tert-butyl-2-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;7-tert-butylisoquinoline;bis(1-tert-butyl-3-methylbenzene);5-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for tert-butylbenzene;6-tert-butyl-1-benzothiophene;1-tert-butyl-2-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;7-tert-butylisoquinoline;bis(1-tert-butyl-3-methylbenzene);5-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene is CC(C)(C)c1ccc2c(c1)CCCC2.CC(C)(C)c1ccc2ccncc2c1.CC(C)(C)c1ccc2ccsc2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1F.CC(C)(C)c1cnc2ccccc2c1.Cc1ccc(C(C)(C)C)cc1F.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cn1ccc2cc(C(C)(C)C)ccc21.Cn1ncc2cc(C(C)(C)C)ccc21.
What is the InChIKey of tert-butylbenzene;6-tert-butyl-1-benzothiophene;1-tert-butyl-2-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;7-tert-butylisoquinoline;bis(1-tert-butyl-3-methylbenzene);5-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is KGAVJRYHOLRFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20.C13H17N.3C13H15N.C12H16N2.C12H14S.C11H15F.2C11H16.C10H13F.C10H14/c1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-5-6-12-10(9-11)7-8-14(12)4;1-13(2,3)12-5-4-10-6-7-14-9-11(10)8-12;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)4;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-8-5-6-9(7-10(8)12)11(2,3)4;2*1-9-6-5-7-10(8-9)11(2,3)4;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)9-7-5-4-6-8-9/h8-10H,4-7H2,1-3H3;5-9H,1-4H3;3*4-9H,1-3H3;5-8H,1-4H3;4-8H,1-3H3;5-7H,1-4H3;2*5-8H,1-4H3;4-7H,1-3H3;4-8H,1-3H3.
What are the key properties of tert-butylbenzene;6-tert-butyl-1-benzothiophene;1-tert-butyl-2-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;7-tert-butylisoquinoline;bis(1-tert-butyl-3-methylbenzene);5-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene?
tert-butylbenzene;6-tert-butyl-1-benzothiophene;1-tert-butyl-2-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;7-tert-butylisoquinoline;bis(1-tert-butyl-3-methylbenzene);5-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 2059.17 g/mol, XLogP of 41.13, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;6-tert-butyl-1-benzothiophene;1-tert-butyl-2-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;7-tert-butylisoquinoline;bis(1-tert-butyl-3-methylbenzene);5-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 159123916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).