tert-butylbenzene;5-tert-butyl-1,3-difluoro-2-methylbenzene;6-tert-butyl-3H-indole;1-tert-butyl-3-methylbenzene;2-tert-butyl-5-methyl-1,3-benzothiazole;5-tert-butyl-2-methylidene-1,3-dihydrobenzimidazole;tris(5-tert-butyl-2-methylpyridine);1-(4-tert-butylphenyl)piperidine;1-tert-butylpiperidine;5-tert-butyl-2-piperidin-1-ylpyridine;3-tert-butylpyridine;1-tert-butylpyrrole

C153H225F2N13S — CID 161031294

IUPACtert-butylbenzene;5-tert-butyl-1,3-difluoro-2-methylbenzene;6-tert-butyl-3H-indole;1-tert-butyl-3-methylbenzene;2-tert-butyl-5-methyl-1,3-benzothiazole;5-tert-butyl-2-methylidene-1,3-dihydrobenzimidazole;tris(5-tert-butyl-2-methylpyridine);1-(4-tert-butylphenyl)piperidine;1-tert-butylpiperidine;5-tert-butyl-2-piperidin-1-ylpyridine;3-tert-butylpyridine;1-tert-butylpyrrole
SMILESC=C1Nc2ccc(C(C)(C)C)cc2N1.CC(C)(C)N1CCCCC1.CC(C)(C)c1ccc(N2CCCCC2)cc1.CC(C)(C)c1ccc(N2CCCCC2)nc1.CC(C)(C)c1ccc2c(c1)N=CC2.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)n1cccc1.Cc1c(F)cc(C(C)(C)C)cc1F.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc2sc(C(C)(C)C)nc2c1.Cc1cccc(C(C)(C)C)c1
InChIInChI=1S/C15H23N.C14H22N2.C12H16N2.C12H15NS.C12H15N.C11H14F2.C11H16.3C10H15N.C10H14.C9H13N.C9H19N.C8H13N/c1-15(2,3)13-7-9-14(10-8-13)16-11-5-4-6-12-16;1-14(2,3)12-7-8-13(15-11-12)16-9-5-4-6-10-16;1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8;1-8-5-6-10-9(7-8)13-11(14-10)12(2,3)4;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-7-9(12)5-8(6-10(7)13)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;3*1-8-5-6-9(7-11-8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-6-4-5-7-9/h7-10H,4-6,11-12H2,1-3H3;7-8,11H,4-6,9-10H2,1-3H3;5-7,13-14H,1H2,2-4H3;5-7H,1-4H3;4-5,7-8H,6H2,1-3H3;5-6H,1-4H3;5-8H,1-4H3;3*5-7H,1-4H3;4-8H,1-3H3;4-7H,1-3H3;4-8H2,1-3H3;4-7H,1-3H3
InChIKeyTZQPEVHXKVZKQN-UHFFFAOYSA-N
MW2316.64 g/mol
LogP42.58
Rot. Bonds2

About tert-butylbenzene;5-tert-butyl-1,3-difluoro-2-methylbenzene;6-tert-butyl-3H-indole;1-tert-butyl-3-methylbenzene;2-tert-butyl-5-methyl-1,3-benzothiazole;5-tert-butyl-2-methylidene-1,3-dihydrobenzimidazole;tris(5-tert-butyl-2-methylpyridine);1-(4-tert-butylphenyl)piperidine;1-tert-butylpiperidine;5-tert-butyl-2-piperidin-1-ylpyridine;3-tert-butylpyridine;1-tert-butylpyrrole

tert-butylbenzene;5-tert-butyl-1,3-difluoro-2-methylbenzene;6-tert-butyl-3H-indole;1-tert-butyl-3-methylbenzene;2-tert-butyl-5-methyl-1,3-benzothiazole;5-tert-butyl-2-methylidene-1,3-dihydrobenzimidazole;tris(5-tert-butyl-2-methylpyridine);1-(4-tert-butylphenyl)piperidine;1-tert-butylpiperidine;5-tert-butyl-2-piperidin-1-ylpyridine;3-tert-butylpyridine;1-tert-butylpyrrole (PubChem CID 161031294) has the molecular formula C153H225F2N13S and a molecular weight of 2316.64 g/mol. Its IUPAC name is tert-butylbenzene;5-tert-butyl-1,3-difluoro-2-methylbenzene;6-tert-butyl-3H-indole;1-tert-butyl-3-methylbenzene;2-tert-butyl-5-methyl-1,3-benzothiazole;5-tert-butyl-2-methylidene-1,3-dihydrobenzimidazole;tris(5-tert-butyl-2-methylpyridine);1-(4-tert-butylphenyl)piperidine;1-tert-butylpiperidine;5-tert-butyl-2-piperidin-1-ylpyridine;3-tert-butylpyridine;1-tert-butylpyrrole.

Molecular Properties

Compound Nametert-butylbenzene;5-tert-butyl-1,3-difluoro-2-methylbenzene;6-tert-butyl-3H-indole;1-tert-butyl-3-methylbenzene;2-tert-butyl-5-methyl-1,3-benzothiazole;5-tert-butyl-2-methylidene-1,3-dihydrobenzimidazole;tris(5-tert-butyl-2-methylpyridine);1-(4-tert-butylphenyl)piperidine;1-tert-butylpiperidine;5-tert-butyl-2-piperidin-1-ylpyridine;3-tert-butylpyridine;1-tert-butylpyrrole
PubChem CID161031294
Molecular FormulaC153H225F2N13S
Molecular Weight2316.64 g/mol
Exact Mass2314.77
IUPAC Nametert-butylbenzene;5-tert-butyl-1,3-difluoro-2-methylbenzene;6-tert-butyl-3H-indole;1-tert-butyl-3-methylbenzene;2-tert-butyl-5-methyl-1,3-benzothiazole;5-tert-butyl-2-methylidene-1,3-dihydrobenzimidazole;tris(5-tert-butyl-2-methylpyridine);1-(4-tert-butylphenyl)piperidine;1-tert-butylpiperidine;5-tert-butyl-2-piperidin-1-ylpyridine;3-tert-butylpyridine;1-tert-butylpyrrole
SMILESC=C1Nc2ccc(C(C)(C)C)cc2N1.CC(C)(C)N1CCCCC1.CC(C)(C)c1ccc(N2CCCCC2)cc1.CC(C)(C)c1ccc(N2CCCCC2)nc1.CC(C)(C)c1ccc2c(c1)N=CC2.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)n1cccc1.Cc1c(F)cc(C(C)(C)C)cc1F.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc2sc(C(C)(C)C)nc2c1.Cc1cccc(C(C)(C)C)c1
InChIInChI=1S/C15H23N.C14H22N2.C12H16N2.C12H15NS.C12H15N.C11H14F2.C11H16.3C10H15N.C10H14.C9H13N.C9H19N.C8H13N/c1-15(2,3)13-7-9-14(10-8-13)16-11-5-4-6-12-16;1-14(2,3)12-7-8-13(15-11-12)16-9-5-4-6-10-16;1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8;1-8-5-6-10-9(7-8)13-11(14-10)12(2,3)4;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-7-9(12)5-8(6-10(7)13)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;3*1-8-5-6-9(7-11-8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-6-4-5-7-9/h7-10H,4-6,11-12H2,1-3H3;7-8,11H,4-6,9-10H2,1-3H3;5-7,13-14H,1H2,2-4H3;5-7H,1-4H3;4-5,7-8H,6H2,1-3H3;5-6H,1-4H3;5-8H,1-4H3;3*5-7H,1-4H3;4-8H,1-3H3;4-7H,1-3H3;4-8H2,1-3H3;4-7H,1-3H3
InChIKeyTZQPEVHXKVZKQN-UHFFFAOYSA-N
XLogP42.58
TPSA128.41 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds2
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002316.64
LogP ≤ 542.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze tert-butylbenzene;5-tert-butyl-1,3-difluoro-2-methylbenzene;6-tert-butyl-3H-indole;1-tert-butyl-3-methylbenzene;2-tert-butyl-5-methyl-1,3-benzothiazole;5-tert-butyl-2-methylidene-1,3-dihydrobenzimidazole;tris(5-tert-butyl-2-methylpyridine);1-(4-tert-butylphenyl)piperidine;1-tert-butylpiperidine;5-tert-butyl-2-piperidin-1-ylpyridine;3-tert-butylpyridine;1-tert-butylpyrrole with MolForge

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Launch Full Analysis

Related Compounds

3,7-Bis(2,6-dimethylphenyl)-2,8-dimethyl-11-(trifluoromethyl)-3,7,13-triazoniatricyclo[7.3.1.05,13]trideca-1(12),2,7,9(13),10-pentaene;3,7-bis(2,6-dimethylphenyl)-2,8,11-trimethyl-3,7,13-triazoniatricyclo[7.3.1.05,13]trideca-1(12),2,7,9(13),10-pentaene;10,18-dimethyl-3,25-diaza-10,18,27-triazoniaheptacyclo[14.10.1.03,11.04,9.012,27.017,25.019,24]heptacosa-4,6,8,10,12(27),13,15,17,19,21,23-undecaene;10,18-dithia-3,25,27-triazoniaheptacyclo[14.10.1.03,11.04,9.012,27.017,25.019,24]heptacosa-3(11),4,6,8,12(27),13,15,17(25),19,21,23-undecaene;3,19,21-triazoniapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9(21),10,12,14,16,18-nonaene;2,8,11-trimethyl-3,7-bis(2,4,6-trimethylphenyl)-3,7,13-triazoniatricyclo[7.3.1.05,13]trideca-1(12),2,7,9(13),10-pentaene
CID 159537615
1-Cyclohexyl-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(2,6-difluoro-4-propan-2-ylphenyl)-4-naphthalen-1-ylpiperidine;2-[1-(2,6-difluoro-4-propan-2-ylphenyl)piperidin-4-yl]pyridine;1-(2,6-difluoro-4-propan-2-ylphenyl)-4-[4-(trifluoromethyl)phenyl]piperazine;1,4-difluoro-2-propan-2-yl-5-(trifluoromethyl)benzene;3-fluoro-4-propan-2-ylpyridine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-yl-1,3-benzothiazole
CID 161819908
2-[6-[3-[4-Fluoro-5-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-5-yl]-3-pyridinyl]pyrrolidin-1-yl]-3-pyridinyl]-5-pyridin-3-yl-1,3-benzothiazole
CID 166882889
5-[4-Fluoro-5-[1-[5-(5-pyridin-3-yl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-yl)-2-pyridinyl]pyrrolidin-3-yl]-3-pyridinyl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole
CID 167073591
N-[1-[2-[5-[3-[3-[1-[2-[4-[2-(2,6-dimethylidenepiperidin-3-yl)-6-fluoro-1,3-dimethylideneisoindol-5-yl]piperazin-1-yl]prop-2-enyl]piperidin-4-yl]propyl]-2-methylphenyl]-6-(4,4-dimethylpent-1-en-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinolin-8-yl]ethenyl]-1,3-benzothiazol-2-amine
CID 170362944
N-[1-[2-[6-(4,4-dimethylpent-1-en-2-yl)-5-[3-[[4-[3-[4-[2-[2-(ethenylamino)hex-1-en-3-yl]-6-fluoro-1,3-dimethylideneisoindol-5-yl]piperazin-1-yl]propyl]phenyl]methyl]-2-methylphenyl]-2-pyridinyl]-3,4-dihydro-1H-isoquinolin-8-yl]ethenyl]-1,3-benzothiazol-2-amine
CID 170363021
N-[1-[2-[5-[3-[[4-[3-[4-[2-(2,6-dimethylidenepiperidin-3-yl)-6-fluoro-1,3-dimethylideneisoindol-5-yl]piperazin-1-yl]propyl]phenyl]methyl]-2-methylphenyl]-6-prop-1-en-2-yl-2-pyridinyl]-3,4-dihydro-1H-isoquinolin-8-yl]ethenyl]-1,3-benzothiazol-2-amine
CID 170363030
N-[1-[2-[5-[3-[[4-[4-[4-[2-(2,6-dimethylidenepiperidin-3-yl)-6-fluoro-1,3-dimethylideneisoindol-5-yl]piperazin-1-yl]pent-4-enyl]phenyl]methyl]-2-methylphenyl]-6-ethenyl-2-pyridinyl]-3,4-dihydro-1H-isoquinolin-8-yl]ethenyl]-1,3-benzothiazol-2-amine
CID 170363074
N-[1-[2-[5-[4-[4-[1-[2-[4-[2-(2,6-dimethylidenepiperidin-3-yl)-6-fluoro-1,3-dimethylideneisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-4-yl]butyl]-2-methylphenyl]-6-ethenyl-2-pyridinyl]-3,4-dihydro-1H-isoquinolin-8-yl]ethenyl]-1,3-benzothiazol-2-amine
CID 170363092
N-[1-[2-[5-[3-[8-[4-[6-fluoro-2-[2-(methylamino)hepta-1,6-dien-3-yl]-1,3-dimethylideneisoindol-5-yl]piperazin-1-yl]octyl]-2-methylphenyl]-2-pyridinyl]-3,4-dihydro-1H-isoquinolin-8-yl]ethenyl]-1,3-benzothiazol-2-amine
CID 170363565
N-[(9-ethylcarbazol-3-yl)methyl]-5-(2-methyl-1,3-benzothiazol-5-yl)pyrazin-2-amine
CID 45274136
4-[3-[3-[9-(4,6-Diphenyl-2-pyridinyl)carbazol-2-yl]phenyl]carbazol-9-yl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 117747577

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;5-tert-butyl-1,3-difluoro-2-methylbenzene;6-tert-butyl-3H-indole;1-tert-butyl-3-methylbenzene;2-tert-butyl-5-methyl-1,3-benzothiazole;5-tert-butyl-2-methylidene-1,3-dihydrobenzimidazole;tris(5-tert-butyl-2-methylpyridine);1-(4-tert-butylphenyl)piperidine;1-tert-butylpiperidine;5-tert-butyl-2-piperidin-1-ylpyridine;3-tert-butylpyridine;1-tert-butylpyrrole?
The IUPAC name of tert-butylbenzene;5-tert-butyl-1,3-difluoro-2-methylbenzene;6-tert-butyl-3H-indole;1-tert-butyl-3-methylbenzene;2-tert-butyl-5-methyl-1,3-benzothiazole;5-tert-butyl-2-methylidene-1,3-dihydrobenzimidazole;tris(5-tert-butyl-2-methylpyridine);1-(4-tert-butylphenyl)piperidine;1-tert-butylpiperidine;5-tert-butyl-2-piperidin-1-ylpyridine;3-tert-butylpyridine;1-tert-butylpyrrole (CID 161031294) is tert-butylbenzene;5-tert-butyl-1,3-difluoro-2-methylbenzene;6-tert-butyl-3H-indole;1-tert-butyl-3-methylbenzene;2-tert-butyl-5-methyl-1,3-benzothiazole;5-tert-butyl-2-methylidene-1,3-dihydrobenzimidazole;tris(5-tert-butyl-2-methylpyridine);1-(4-tert-butylphenyl)piperidine;1-tert-butylpiperidine;5-tert-butyl-2-piperidin-1-ylpyridine;3-tert-butylpyridine;1-tert-butylpyrrole.
What is the SMILES notation for tert-butylbenzene;5-tert-butyl-1,3-difluoro-2-methylbenzene;6-tert-butyl-3H-indole;1-tert-butyl-3-methylbenzene;2-tert-butyl-5-methyl-1,3-benzothiazole;5-tert-butyl-2-methylidene-1,3-dihydrobenzimidazole;tris(5-tert-butyl-2-methylpyridine);1-(4-tert-butylphenyl)piperidine;1-tert-butylpiperidine;5-tert-butyl-2-piperidin-1-ylpyridine;3-tert-butylpyridine;1-tert-butylpyrrole?
The canonical SMILES for tert-butylbenzene;5-tert-butyl-1,3-difluoro-2-methylbenzene;6-tert-butyl-3H-indole;1-tert-butyl-3-methylbenzene;2-tert-butyl-5-methyl-1,3-benzothiazole;5-tert-butyl-2-methylidene-1,3-dihydrobenzimidazole;tris(5-tert-butyl-2-methylpyridine);1-(4-tert-butylphenyl)piperidine;1-tert-butylpiperidine;5-tert-butyl-2-piperidin-1-ylpyridine;3-tert-butylpyridine;1-tert-butylpyrrole is C=C1Nc2ccc(C(C)(C)C)cc2N1.CC(C)(C)N1CCCCC1.CC(C)(C)c1ccc(N2CCCCC2)cc1.CC(C)(C)c1ccc(N2CCCCC2)nc1.CC(C)(C)c1ccc2c(c1)N=CC2.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)n1cccc1.Cc1c(F)cc(C(C)(C)C)cc1F.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc2sc(C(C)(C)C)nc2c1.Cc1cccc(C(C)(C)C)c1.
What is the InChIKey of tert-butylbenzene;5-tert-butyl-1,3-difluoro-2-methylbenzene;6-tert-butyl-3H-indole;1-tert-butyl-3-methylbenzene;2-tert-butyl-5-methyl-1,3-benzothiazole;5-tert-butyl-2-methylidene-1,3-dihydrobenzimidazole;tris(5-tert-butyl-2-methylpyridine);1-(4-tert-butylphenyl)piperidine;1-tert-butylpiperidine;5-tert-butyl-2-piperidin-1-ylpyridine;3-tert-butylpyridine;1-tert-butylpyrrole?
The InChIKey is TZQPEVHXKVZKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N.C14H22N2.C12H16N2.C12H15NS.C12H15N.C11H14F2.C11H16.3C10H15N.C10H14.C9H13N.C9H19N.C8H13N/c1-15(2,3)13-7-9-14(10-8-13)16-11-5-4-6-12-16;1-14(2,3)12-7-8-13(15-11-12)16-9-5-4-6-10-16;1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8;1-8-5-6-10-9(7-8)13-11(14-10)12(2,3)4;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-7-9(12)5-8(6-10(7)13)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;3*1-8-5-6-9(7-11-8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-6-4-5-7-9/h7-10H,4-6,11-12H2,1-3H3;7-8,11H,4-6,9-10H2,1-3H3;5-7,13-14H,1H2,2-4H3;5-7H,1-4H3;4-5,7-8H,6H2,1-3H3;5-6H,1-4H3;5-8H,1-4H3;3*5-7H,1-4H3;4-8H,1-3H3;4-7H,1-3H3;4-8H2,1-3H3;4-7H,1-3H3.
What are the key properties of tert-butylbenzene;5-tert-butyl-1,3-difluoro-2-methylbenzene;6-tert-butyl-3H-indole;1-tert-butyl-3-methylbenzene;2-tert-butyl-5-methyl-1,3-benzothiazole;5-tert-butyl-2-methylidene-1,3-dihydrobenzimidazole;tris(5-tert-butyl-2-methylpyridine);1-(4-tert-butylphenyl)piperidine;1-tert-butylpiperidine;5-tert-butyl-2-piperidin-1-ylpyridine;3-tert-butylpyridine;1-tert-butylpyrrole?
tert-butylbenzene;5-tert-butyl-1,3-difluoro-2-methylbenzene;6-tert-butyl-3H-indole;1-tert-butyl-3-methylbenzene;2-tert-butyl-5-methyl-1,3-benzothiazole;5-tert-butyl-2-methylidene-1,3-dihydrobenzimidazole;tris(5-tert-butyl-2-methylpyridine);1-(4-tert-butylphenyl)piperidine;1-tert-butylpiperidine;5-tert-butyl-2-piperidin-1-ylpyridine;3-tert-butylpyridine;1-tert-butylpyrrole has a molecular weight of 2316.64 g/mol, XLogP of 42.58, 2 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;5-tert-butyl-1,3-difluoro-2-methylbenzene;6-tert-butyl-3H-indole;1-tert-butyl-3-methylbenzene;2-tert-butyl-5-methyl-1,3-benzothiazole;5-tert-butyl-2-methylidene-1,3-dihydrobenzimidazole;tris(5-tert-butyl-2-methylpyridine);1-(4-tert-butylphenyl)piperidine;1-tert-butylpiperidine;5-tert-butyl-2-piperidin-1-ylpyridine;3-tert-butylpyridine;1-tert-butylpyrrole is sourced from PubChem (CID 161031294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).