1-tert-butyl-4-cyclohexylbenzene;2-tert-butylfuran;1-tert-butyl-2-phenylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;6-(4-tert-butylphenyl)-1H-indole;2-(4-tert-butylphenyl)pyridine;2-tert-butyl-5-phenylpyridine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-phenylpyridine;2-(4-tert-butylphenyl)thiophene;2-tert-butylthiophene;ethane;toluene

C227H316N6OS2 — CID 161222044

IUPAC1-tert-butyl-4-cyclohexylbenzene;2-tert-butylfuran;1-tert-butyl-2-phenylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;6-(4-tert-butylphenyl)-1H-indole;2-(4-tert-butylphenyl)pyridine;2-tert-butyl-5-phenylpyridine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-phenylpyridine;2-(4-tert-butylphenyl)thiophene;2-tert-butylthiophene;ethane;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccc(-c2ccc3cc[nH]c3c2)cc1.CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2ccccc2)cn1.CC(C)(C)c1ccc(-c2ccccc2)nc1.CC(C)(C)c1ccc(-c2ccccn2)cc1.CC(C)(C)c1ccc(-c2cccnc2)cc1.CC(C)(C)c1ccc(-c2cccs2)cc1.CC(C)(C)c1ccc(-c2ccncc2)cc1.CC(C)(C)c1ccc(C2CCCCC2)cc1.CC(C)(C)c1cccc(-c2ccccc2)c1.CC(C)(C)c1ccccc1-c1ccccc1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/C18H19N.2C16H18.C16H24.C16H18.5C15H17N.C14H16S.C8H12O.C8H12S.2C7H8.13C2H6/c1-18(2,3)16-8-6-13(7-9-16)15-5-4-14-10-11-19-17(14)12-15;1-16(2,3)15-12-8-7-11-14(15)13-9-5-4-6-10-13;1-16(2,3)15-11-7-10-14(12-15)13-8-5-4-6-9-13;2*1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-15(2,3)14-6-4-12(5-7-14)13-8-10-16-11-9-13;1-15(2,3)14-8-6-12(7-9-14)13-5-4-10-16-11-13;1-15(2,3)13-9-7-12(8-10-13)14-6-4-5-11-16-14;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;1-15(2,3)14-10-9-13(11-16-14)12-7-5-4-6-8-12;1-14(2,3)12-8-6-11(7-9-12)13-5-4-10-15-13;2*1-8(2,3)7-5-4-6-9-7;2*1-7-5-3-2-4-6-7;13*1-2/h4-12,19H,1-3H3;2*4-12H,1-3H3;9-13H,4-8H2,1-3H3;4-12H,1-3H3;5*4-11H,1-3H3;4-10H,1-3H3;2*4-6H,1-3H3;2*2-6H,1H3;13*1-2H3
InChIKeyUXQIZXJMKWWBNM-UHFFFAOYSA-N
MW3209.20 g/mol
LogP72.01
Rot. Bonds11

About 1-tert-butyl-4-cyclohexylbenzene;2-tert-butylfuran;1-tert-butyl-2-phenylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;6-(4-tert-butylphenyl)-1H-indole;2-(4-tert-butylphenyl)pyridine;2-tert-butyl-5-phenylpyridine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-phenylpyridine;2-(4-tert-butylphenyl)thiophene;2-tert-butylthiophene;ethane;toluene

1-tert-butyl-4-cyclohexylbenzene;2-tert-butylfuran;1-tert-butyl-2-phenylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;6-(4-tert-butylphenyl)-1H-indole;2-(4-tert-butylphenyl)pyridine;2-tert-butyl-5-phenylpyridine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-phenylpyridine;2-(4-tert-butylphenyl)thiophene;2-tert-butylthiophene;ethane;toluene (PubChem CID 161222044) has the molecular formula C227H316N6OS2 and a molecular weight of 3209.20 g/mol. Its IUPAC name is 1-tert-butyl-4-cyclohexylbenzene;2-tert-butylfuran;1-tert-butyl-2-phenylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;6-(4-tert-butylphenyl)-1H-indole;2-(4-tert-butylphenyl)pyridine;2-tert-butyl-5-phenylpyridine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-phenylpyridine;2-(4-tert-butylphenyl)thiophene;2-tert-butylthiophene;ethane;toluene.

Molecular Properties

Compound Name1-tert-butyl-4-cyclohexylbenzene;2-tert-butylfuran;1-tert-butyl-2-phenylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;6-(4-tert-butylphenyl)-1H-indole;2-(4-tert-butylphenyl)pyridine;2-tert-butyl-5-phenylpyridine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-phenylpyridine;2-(4-tert-butylphenyl)thiophene;2-tert-butylthiophene;ethane;toluene
PubChem CID161222044
Molecular FormulaC227H316N6OS2
Molecular Weight3209.20 g/mol
Exact Mass3206.43
IUPAC Name1-tert-butyl-4-cyclohexylbenzene;2-tert-butylfuran;1-tert-butyl-2-phenylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;6-(4-tert-butylphenyl)-1H-indole;2-(4-tert-butylphenyl)pyridine;2-tert-butyl-5-phenylpyridine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-phenylpyridine;2-(4-tert-butylphenyl)thiophene;2-tert-butylthiophene;ethane;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccc(-c2ccc3cc[nH]c3c2)cc1.CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2ccccc2)cn1.CC(C)(C)c1ccc(-c2ccccc2)nc1.CC(C)(C)c1ccc(-c2ccccn2)cc1.CC(C)(C)c1ccc(-c2cccnc2)cc1.CC(C)(C)c1ccc(-c2cccs2)cc1.CC(C)(C)c1ccc(-c2ccncc2)cc1.CC(C)(C)c1ccc(C2CCCCC2)cc1.CC(C)(C)c1cccc(-c2ccccc2)c1.CC(C)(C)c1ccccc1-c1ccccc1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/C18H19N.2C16H18.C16H24.C16H18.5C15H17N.C14H16S.C8H12O.C8H12S.2C7H8.13C2H6/c1-18(2,3)16-8-6-13(7-9-16)15-5-4-14-10-11-19-17(14)12-15;1-16(2,3)15-12-8-7-11-14(15)13-9-5-4-6-10-13;1-16(2,3)15-11-7-10-14(12-15)13-8-5-4-6-9-13;2*1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-15(2,3)14-6-4-12(5-7-14)13-8-10-16-11-9-13;1-15(2,3)14-8-6-12(7-9-14)13-5-4-10-16-11-13;1-15(2,3)13-9-7-12(8-10-13)14-6-4-5-11-16-14;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;1-15(2,3)14-10-9-13(11-16-14)12-7-5-4-6-8-12;1-14(2,3)12-8-6-11(7-9-12)13-5-4-10-15-13;2*1-8(2,3)7-5-4-6-9-7;2*1-7-5-3-2-4-6-7;13*1-2/h4-12,19H,1-3H3;2*4-12H,1-3H3;9-13H,4-8H2,1-3H3;4-12H,1-3H3;5*4-11H,1-3H3;4-10H,1-3H3;2*4-6H,1-3H3;2*2-6H,1H3;13*1-2H3
InChIKeyUXQIZXJMKWWBNM-UHFFFAOYSA-N
XLogP72.01
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms236
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003209.20
LogP ≤ 572.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-tert-butyl-4-cyclohexylbenzene;2-tert-butylfuran;1-tert-butyl-2-phenylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;6-(4-tert-butylphenyl)-1H-indole;2-(4-tert-butylphenyl)pyridine;2-tert-butyl-5-phenylpyridine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-phenylpyridine;2-(4-tert-butylphenyl)thiophene;2-tert-butylthiophene;ethane;toluene with MolForge

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Related Compounds

tert-butylbenzene;bis(6-tert-butyl-1H-benzimidazole);1-tert-butylcyclopenta-1,3-diene;bis(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;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;3-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene;2-methylpropane;piperidine
CID 157716365
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-[3-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-ylphenyl]-1H-indole
CID 90755845
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
2-[[2-[2-[2-[2-[3-(furan-2-yl)-5-naphthalen-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylphenyl]-3-pyridinyl]-1H-indol-3-yl]-1-benzofuran-3-yl]phenyl]sulfanyl-phenylmethyl]-3-isoquinolin-1-ylquinoline
CID 123289308
9-Methyl-2-[5-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]furan-2-yl]carbazole;9-methyl-2-[5-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]thiophen-2-yl]carbazole
CID 123334351
1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohex-3-en-1-amine
CID 123653830
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;2-[3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine
CID 123724688
5-(furan-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-indole
CID 141048940
4-(1-benzofuran-2-yl)-3,3-bis(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-5-(1H-pyrrol-2-yl)indole
CID 141303198
9H-carbazole;3-dibenzofuran-2-yl-5-(8-dibenzothiophen-4-yldibenzofuran-2-yl)pyridine
CID 144548905
CID 157049770
CID 157049770

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-cyclohexylbenzene;2-tert-butylfuran;1-tert-butyl-2-phenylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;6-(4-tert-butylphenyl)-1H-indole;2-(4-tert-butylphenyl)pyridine;2-tert-butyl-5-phenylpyridine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-phenylpyridine;2-(4-tert-butylphenyl)thiophene;2-tert-butylthiophene;ethane;toluene?
The IUPAC name of 1-tert-butyl-4-cyclohexylbenzene;2-tert-butylfuran;1-tert-butyl-2-phenylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;6-(4-tert-butylphenyl)-1H-indole;2-(4-tert-butylphenyl)pyridine;2-tert-butyl-5-phenylpyridine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-phenylpyridine;2-(4-tert-butylphenyl)thiophene;2-tert-butylthiophene;ethane;toluene (CID 161222044) is 1-tert-butyl-4-cyclohexylbenzene;2-tert-butylfuran;1-tert-butyl-2-phenylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;6-(4-tert-butylphenyl)-1H-indole;2-(4-tert-butylphenyl)pyridine;2-tert-butyl-5-phenylpyridine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-phenylpyridine;2-(4-tert-butylphenyl)thiophene;2-tert-butylthiophene;ethane;toluene.
What is the SMILES notation for 1-tert-butyl-4-cyclohexylbenzene;2-tert-butylfuran;1-tert-butyl-2-phenylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;6-(4-tert-butylphenyl)-1H-indole;2-(4-tert-butylphenyl)pyridine;2-tert-butyl-5-phenylpyridine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-phenylpyridine;2-(4-tert-butylphenyl)thiophene;2-tert-butylthiophene;ethane;toluene?
The canonical SMILES for 1-tert-butyl-4-cyclohexylbenzene;2-tert-butylfuran;1-tert-butyl-2-phenylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;6-(4-tert-butylphenyl)-1H-indole;2-(4-tert-butylphenyl)pyridine;2-tert-butyl-5-phenylpyridine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-phenylpyridine;2-(4-tert-butylphenyl)thiophene;2-tert-butylthiophene;ethane;toluene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccc(-c2ccc3cc[nH]c3c2)cc1.CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2ccccc2)cn1.CC(C)(C)c1ccc(-c2ccccc2)nc1.CC(C)(C)c1ccc(-c2ccccn2)cc1.CC(C)(C)c1ccc(-c2cccnc2)cc1.CC(C)(C)c1ccc(-c2cccs2)cc1.CC(C)(C)c1ccc(-c2ccncc2)cc1.CC(C)(C)c1ccc(C2CCCCC2)cc1.CC(C)(C)c1cccc(-c2ccccc2)c1.CC(C)(C)c1ccccc1-c1ccccc1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.Cc1ccccc1.Cc1ccccc1.
What is the InChIKey of 1-tert-butyl-4-cyclohexylbenzene;2-tert-butylfuran;1-tert-butyl-2-phenylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;6-(4-tert-butylphenyl)-1H-indole;2-(4-tert-butylphenyl)pyridine;2-tert-butyl-5-phenylpyridine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-phenylpyridine;2-(4-tert-butylphenyl)thiophene;2-tert-butylthiophene;ethane;toluene?
The InChIKey is UXQIZXJMKWWBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N.2C16H18.C16H24.C16H18.5C15H17N.C14H16S.C8H12O.C8H12S.2C7H8.13C2H6/c1-18(2,3)16-8-6-13(7-9-16)15-5-4-14-10-11-19-17(14)12-15;1-16(2,3)15-12-8-7-11-14(15)13-9-5-4-6-10-13;1-16(2,3)15-11-7-10-14(12-15)13-8-5-4-6-9-13;2*1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-15(2,3)14-6-4-12(5-7-14)13-8-10-16-11-9-13;1-15(2,3)14-8-6-12(7-9-14)13-5-4-10-16-11-13;1-15(2,3)13-9-7-12(8-10-13)14-6-4-5-11-16-14;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;1-15(2,3)14-10-9-13(11-16-14)12-7-5-4-6-8-12;1-14(2,3)12-8-6-11(7-9-12)13-5-4-10-15-13;2*1-8(2,3)7-5-4-6-9-7;2*1-7-5-3-2-4-6-7;13*1-2/h4-12,19H,1-3H3;2*4-12H,1-3H3;9-13H,4-8H2,1-3H3;4-12H,1-3H3;5*4-11H,1-3H3;4-10H,1-3H3;2*4-6H,1-3H3;2*2-6H,1H3;13*1-2H3.
What are the key properties of 1-tert-butyl-4-cyclohexylbenzene;2-tert-butylfuran;1-tert-butyl-2-phenylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;6-(4-tert-butylphenyl)-1H-indole;2-(4-tert-butylphenyl)pyridine;2-tert-butyl-5-phenylpyridine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-phenylpyridine;2-(4-tert-butylphenyl)thiophene;2-tert-butylthiophene;ethane;toluene?
1-tert-butyl-4-cyclohexylbenzene;2-tert-butylfuran;1-tert-butyl-2-phenylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;6-(4-tert-butylphenyl)-1H-indole;2-(4-tert-butylphenyl)pyridine;2-tert-butyl-5-phenylpyridine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-phenylpyridine;2-(4-tert-butylphenyl)thiophene;2-tert-butylthiophene;ethane;toluene has a molecular weight of 3209.20 g/mol, XLogP of 72.01, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-cyclohexylbenzene;2-tert-butylfuran;1-tert-butyl-2-phenylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;6-(4-tert-butylphenyl)-1H-indole;2-(4-tert-butylphenyl)pyridine;2-tert-butyl-5-phenylpyridine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-phenylpyridine;2-(4-tert-butylphenyl)thiophene;2-tert-butylthiophene;ethane;toluene is sourced from PubChem (CID 161222044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).