5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;5-tert-butyl-1-benzothiophene;6-tert-butyl-1-benzothiophene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;3-tert-butylisoquinoline;tris(2-tert-butylnaphthalene);2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline

C180H210N6O2S2 — CID 159226106

IUPAC5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;5-tert-butyl-1-benzothiophene;6-tert-butyl-1-benzothiophene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;3-tert-butylisoquinoline;tris(2-tert-butylnaphthalene);2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline
SMILESCC(C)(C)c1cc2ccccc2cn1.CC(C)(C)c1ccc2c(c1)C=CC2.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2ccoc2c1.CC(C)(C)c1ccc2ccsc2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccc2occc2c1.CC(C)(C)c1ccc2sccc2c1.CC(C)(C)c1cnc2ccccc2c1
InChIInChI=1S/3C14H16.5C13H15N.C13H16.C12H15N.2C12H14O.2C12H14S/c3*1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)12-8-10-6-4-5-7-11(10)9-14-12;1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10/h3*4-10H,1-3H3;5*4-9H,1-3H3;4,6-9H,5H2,1-3H3;4-8,13H,1-3H3;4*4-8H,1-3H3
InChIKeyKSHNQQZIEPOJHG-UHFFFAOYSA-N
MW2553.83 g/mol
LogP52.95
Rot. Bonds

About 5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;5-tert-butyl-1-benzothiophene;6-tert-butyl-1-benzothiophene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;3-tert-butylisoquinoline;tris(2-tert-butylnaphthalene);2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline

5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;5-tert-butyl-1-benzothiophene;6-tert-butyl-1-benzothiophene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;3-tert-butylisoquinoline;tris(2-tert-butylnaphthalene);2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline (PubChem CID 159226106) has the molecular formula C180H210N6O2S2 and a molecular weight of 2553.83 g/mol. Its IUPAC name is 5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;5-tert-butyl-1-benzothiophene;6-tert-butyl-1-benzothiophene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;3-tert-butylisoquinoline;tris(2-tert-butylnaphthalene);2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline.

Molecular Properties

Compound Name5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;5-tert-butyl-1-benzothiophene;6-tert-butyl-1-benzothiophene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;3-tert-butylisoquinoline;tris(2-tert-butylnaphthalene);2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline
PubChem CID159226106
Molecular FormulaC180H210N6O2S2
Molecular Weight2553.83 g/mol
Exact Mass2551.60
IUPAC Name5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;5-tert-butyl-1-benzothiophene;6-tert-butyl-1-benzothiophene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;3-tert-butylisoquinoline;tris(2-tert-butylnaphthalene);2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline
SMILESCC(C)(C)c1cc2ccccc2cn1.CC(C)(C)c1ccc2c(c1)C=CC2.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2ccoc2c1.CC(C)(C)c1ccc2ccsc2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccc2occc2c1.CC(C)(C)c1ccc2sccc2c1.CC(C)(C)c1cnc2ccccc2c1
InChIInChI=1S/3C14H16.5C13H15N.C13H16.C12H15N.2C12H14O.2C12H14S/c3*1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)12-8-10-6-4-5-7-11(10)9-14-12;1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10/h3*4-10H,1-3H3;5*4-9H,1-3H3;4,6-9H,5H2,1-3H3;4-8,13H,1-3H3;4*4-8H,1-3H3
InChIKeyKSHNQQZIEPOJHG-UHFFFAOYSA-N
XLogP52.95
TPSA106.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms190
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002553.83
LogP ≤ 552.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;5-tert-butyl-1-benzothiophene;6-tert-butyl-1-benzothiophene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;3-tert-butylisoquinoline;tris(2-tert-butylnaphthalene);2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline with MolForge

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Launch Full Analysis

Related Compounds

15-(1-benzothiophen-3-yl)-17-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;15-dibenzofuran-2-yl-20-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;4-(19-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-15-yl)-N,N-diphenylaniline;15-(9-phenylcarbazol-3-yl)-10-oxa-19,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;12-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-17-oxa-10-azahexacyclo[12.11.0.02,11.04,9.016,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,16(24),18,20,22-dodecaene
CID 157258443
CID 159961606
CID 159961606
6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-3-(2,2-dimethylpropyl)thieno[2,3-f]isoquinoline;6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-(3,3,3-trifluoropropyl)thieno[2,3-f]isoquinoline;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);6-(3,5-dimethylbenzene-6-id-1-yl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;tetrakis(iridium)
CID 160273940
20-(4-Methoxyphenyl)-18-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;17-methyl-20-(9-phenylcarbazol-3-yl)-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;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;12-(9-phenylcarbazol-2-yl)-23-oxa-4-azahexacyclo[12.11.0.02,11.05,10.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene
CID 160627340
2-Tert-butyl-1-benzofuran;3-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;3-tert-butyl-1-benzothiophene;5-tert-butyl-1-benzothiophene;6-tert-butyl-1-benzothiophene;2-tert-butylfuran;3-tert-butylfuran;4-tert-butyl-1-methoxy-2-methylbenzene;3-tert-butylpyridine;4-tert-butylpyridine;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyl-4-(trifluoromethoxy)benzene
CID 160821444
6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-(2,2-dimethylpropyl)thieno[2,3-f]isoquinoline;tris(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);bis(6-(3,5-dimethylbenzene-6-id-1-yl)-3-(2,2-dimethylpropyl)thieno[2,3-f]isoquinoline);tetrakis(iridium);1,1,1-trifluoro-4-hydroxy-5,5-dimethylhex-3-en-2-one
CID 161020065
6-(3-Tert-butyl-5-methylphenyl)-3-(2,2-dimethylpropyl)-4-methylthieno[2,3-f]isoquinoline;6-(3-tert-butyl-5-methylphenyl)-3-(2,2-dimethylpropyl)thieno[2,3-f]isoquinoline;6-(4-tert-butylnaphthalen-2-yl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;9-(4-tert-butylnaphthalen-2-yl)-2-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-h]isoquinoline;9-(4-tert-butylnaphthalen-2-yl)-3-(2,2-dimethylpropyl)thieno[3,2-h]isoquinoline;6-(4-tert-butylnaphthalen-2-yl)-3-(3,3,3-trifluoropropyl)thieno[2,3-f]isoquinoline;6-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;6-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)-2-methylfuro[2,3-f]isoquinoline;9-(3,5-dimethylphenyl)-2-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-h]isoquinoline;9-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)thieno[3,2-h]isoquinoline
CID 161324597
2-(4-acetylphenyl)-1-[(1S)-2-[4-(aminomethyl)cyclohexanecarbonyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanone;1-[2-[4-(aminomethyl)cyclohexanecarbonyl]-3,4-dihydro-1H-isoquinolin-1-yl]-2-[4-(1-methoxyethenylamino)phenyl]ethanone;2-chloro-5-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;3-methyl-4-propan-2-ylthiophene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indole;3-propan-2-ylquinoline;6-propan-2-ylquinoline;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene
CID 161642904
tert-butylbenzene;1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-1,1-difluorocyclohexane;bis(2-tert-butylfuran);3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylnaphthalene;1-tert-butylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene
CID 165007738
2-[[2-[2-[2-[2-[4-(furan-2-yl)-3-thiophen-2-yl-1H-pyrrol-2-yl]-3-pyridinyl]-1H-indol-3-yl]-1-benzofuran-3-yl]phenyl]sulfanyl-phenylmethyl]-3-isoquinolin-1-ylquinoline
CID 91399156
3-[2-(1,2-Dihydropyridin-6-yl)phenyl]-9-phenyl-6-[8-[2-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole
CID 118438845
2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine;2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine
CID 123204204

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;5-tert-butyl-1-benzothiophene;6-tert-butyl-1-benzothiophene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;3-tert-butylisoquinoline;tris(2-tert-butylnaphthalene);2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline?
The IUPAC name of 5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;5-tert-butyl-1-benzothiophene;6-tert-butyl-1-benzothiophene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;3-tert-butylisoquinoline;tris(2-tert-butylnaphthalene);2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline (CID 159226106) is 5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;5-tert-butyl-1-benzothiophene;6-tert-butyl-1-benzothiophene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;3-tert-butylisoquinoline;tris(2-tert-butylnaphthalene);2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline.
What is the SMILES notation for 5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;5-tert-butyl-1-benzothiophene;6-tert-butyl-1-benzothiophene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;3-tert-butylisoquinoline;tris(2-tert-butylnaphthalene);2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline?
The canonical SMILES for 5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;5-tert-butyl-1-benzothiophene;6-tert-butyl-1-benzothiophene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;3-tert-butylisoquinoline;tris(2-tert-butylnaphthalene);2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline is CC(C)(C)c1cc2ccccc2cn1.CC(C)(C)c1ccc2c(c1)C=CC2.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2ccoc2c1.CC(C)(C)c1ccc2ccsc2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccc2occc2c1.CC(C)(C)c1ccc2sccc2c1.CC(C)(C)c1cnc2ccccc2c1.
What is the InChIKey of 5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;5-tert-butyl-1-benzothiophene;6-tert-butyl-1-benzothiophene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;3-tert-butylisoquinoline;tris(2-tert-butylnaphthalene);2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline?
The InChIKey is KSHNQQZIEPOJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H16.5C13H15N.C13H16.C12H15N.2C12H14O.2C12H14S/c3*1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)12-8-10-6-4-5-7-11(10)9-14-12;1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10/h3*4-10H,1-3H3;5*4-9H,1-3H3;4,6-9H,5H2,1-3H3;4-8,13H,1-3H3;4*4-8H,1-3H3.
What are the key properties of 5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;5-tert-butyl-1-benzothiophene;6-tert-butyl-1-benzothiophene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;3-tert-butylisoquinoline;tris(2-tert-butylnaphthalene);2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline?
5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;5-tert-butyl-1-benzothiophene;6-tert-butyl-1-benzothiophene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;3-tert-butylisoquinoline;tris(2-tert-butylnaphthalene);2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline has a molecular weight of 2553.83 g/mol, XLogP of 52.95, 0 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;5-tert-butyl-1-benzothiophene;6-tert-butyl-1-benzothiophene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;3-tert-butylisoquinoline;tris(2-tert-butylnaphthalene);2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline is sourced from PubChem (CID 159226106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).