2-amino-5-tert-butylpyridine-3-carbonitrile;5-tert-butyl-6-chloro-1H-indole;5-tert-butyl-2-(3,3-difluorobutyl)pyridine;5-tert-butyl-6,7-difluoro-1H-indene;5-tert-butyl-7-fluoro-1H-indole;1-tert-butyl-2-methylbenzene;4-tert-butyl-2-methylidene-1,3-dihydroindene;4-tert-butyl-6-methyl-1H-indole;5-tert-butyl-3-methyl-1H-indole;5-tert-butyl-6-methyl-1H-indole;4-tert-butyl-3-methyl-1H-isoindole;4-tert-butyl-3-methyl-2-methylidene-1H-benzimidazole;4-tert-butyl-5-methylpyridin-2-amine;tetrakis(5-tert-butyl-3-methylpyridin-2-amine)

C200H274ClF5N22 — CID 167636951

IUPAC2-amino-5-tert-butylpyridine-3-carbonitrile;5-tert-butyl-6-chloro-1H-indole;5-tert-butyl-2-(3,3-difluorobutyl)pyridine;5-tert-butyl-6,7-difluoro-1H-indene;5-tert-butyl-7-fluoro-1H-indole;1-tert-butyl-2-methylbenzene;4-tert-butyl-2-methylidene-1,3-dihydroindene;4-tert-butyl-6-methyl-1H-indole;5-tert-butyl-3-methyl-1H-indole;5-tert-butyl-6-methyl-1H-indole;4-tert-butyl-3-methyl-1H-isoindole;4-tert-butyl-3-methyl-2-methylidene-1H-benzimidazole;4-tert-butyl-5-methylpyridin-2-amine;tetrakis(5-tert-butyl-3-methylpyridin-2-amine)
SMILESC=C1Cc2cccc(C(C)(C)C)c2C1.C=C1Nc2cccc(C(C)(C)C)c2N1C.CC(C)(C)c1cc(F)c2[nH]ccc2c1.CC(C)(C)c1cc2c(c(F)c1F)CC=C2.CC(C)(C)c1cc2cc[nH]c2cc1Cl.CC(C)(C)c1cnc(N)c(C#N)c1.CC(F)(F)CCc1ccc(C(C)(C)C)cn1.CC1=NCc2cccc(C(C)(C)C)c21.Cc1c[nH]c2ccc(C(C)(C)C)cc12.Cc1cc(C(C)(C)C)c2cc[nH]c2c1.Cc1cc(C(C)(C)C)cnc1N.Cc1cc(C(C)(C)C)cnc1N.Cc1cc(C(C)(C)C)cnc1N.Cc1cc(C(C)(C)C)cnc1N.Cc1cc2[nH]ccc2cc1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1cnc(N)cc1C(C)(C)C
InChIInChI=1S/C14H18.C13H19F2N.C13H14F2.C13H18N2.4C13H17N.C12H14ClN.C12H14FN.C11H16.C10H13N3.5C10H16N2/c1-10-8-11-6-5-7-13(12(11)9-10)14(2,3)4;1-12(2,3)10-5-6-11(16-9-10)7-8-13(4,14)15;1-13(2,3)10-7-8-5-4-6-9(8)11(14)12(10)15;1-9-14-11-8-6-7-10(13(2,3)4)12(11)15(9)5;1-9-8-14-12-6-5-10(7-11(9)12)13(2,3)4;1-9-7-12-10(5-6-14-12)8-11(9)13(2,3)4;1-9-7-11(13(2,3)4)10-5-6-14-12(10)8-9;1-9-12-10(8-14-9)6-5-7-11(12)13(2,3)4;1-12(2,3)9-6-8-4-5-14-11(8)7-10(9)13;1-12(2,3)9-6-8-4-5-14-11(8)10(13)7-9;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-4-7(5-11)9(12)13-6-8;1-7-6-12-9(11)5-8(7)10(2,3)4;4*1-7-5-8(10(2,3)4)6-12-9(7)11/h5-7H,1,8-9H2,2-4H3;5-6,9H,7-8H2,1-4H3;4-5,7H,6H2,1-3H3;6-8,14H,1H2,2-5H3;3*5-8,14H,1-4H3;5-7H,8H2,1-4H3;2*4-7,14H,1-3H3;5-8H,1-4H3;4,6H,1-3H3,(H2,12,13);5*5-6H,1-4H3,(H2,11,12)
InChIKeyOPOHANZISPXFSJ-UHFFFAOYSA-N
MW3116.99 g/mol
LogP53.58
Rot. Bonds3

About 2-amino-5-tert-butylpyridine-3-carbonitrile;5-tert-butyl-6-chloro-1H-indole;5-tert-butyl-2-(3,3-difluorobutyl)pyridine;5-tert-butyl-6,7-difluoro-1H-indene;5-tert-butyl-7-fluoro-1H-indole;1-tert-butyl-2-methylbenzene;4-tert-butyl-2-methylidene-1,3-dihydroindene;4-tert-butyl-6-methyl-1H-indole;5-tert-butyl-3-methyl-1H-indole;5-tert-butyl-6-methyl-1H-indole;4-tert-butyl-3-methyl-1H-isoindole;4-tert-butyl-3-methyl-2-methylidene-1H-benzimidazole;4-tert-butyl-5-methylpyridin-2-amine;tetrakis(5-tert-butyl-3-methylpyridin-2-amine)

2-amino-5-tert-butylpyridine-3-carbonitrile;5-tert-butyl-6-chloro-1H-indole;5-tert-butyl-2-(3,3-difluorobutyl)pyridine;5-tert-butyl-6,7-difluoro-1H-indene;5-tert-butyl-7-fluoro-1H-indole;1-tert-butyl-2-methylbenzene;4-tert-butyl-2-methylidene-1,3-dihydroindene;4-tert-butyl-6-methyl-1H-indole;5-tert-butyl-3-methyl-1H-indole;5-tert-butyl-6-methyl-1H-indole;4-tert-butyl-3-methyl-1H-isoindole;4-tert-butyl-3-methyl-2-methylidene-1H-benzimidazole;4-tert-butyl-5-methylpyridin-2-amine;tetrakis(5-tert-butyl-3-methylpyridin-2-amine) (PubChem CID 167636951) has the molecular formula C200H274ClF5N22 and a molecular weight of 3116.99 g/mol. Its IUPAC name is 2-amino-5-tert-butylpyridine-3-carbonitrile;5-tert-butyl-6-chloro-1H-indole;5-tert-butyl-2-(3,3-difluorobutyl)pyridine;5-tert-butyl-6,7-difluoro-1H-indene;5-tert-butyl-7-fluoro-1H-indole;1-tert-butyl-2-methylbenzene;4-tert-butyl-2-methylidene-1,3-dihydroindene;4-tert-butyl-6-methyl-1H-indole;5-tert-butyl-3-methyl-1H-indole;5-tert-butyl-6-methyl-1H-indole;4-tert-butyl-3-methyl-1H-isoindole;4-tert-butyl-3-methyl-2-methylidene-1H-benzimidazole;4-tert-butyl-5-methylpyridin-2-amine;tetrakis(5-tert-butyl-3-methylpyridin-2-amine).

Molecular Properties

Compound Name2-amino-5-tert-butylpyridine-3-carbonitrile;5-tert-butyl-6-chloro-1H-indole;5-tert-butyl-2-(3,3-difluorobutyl)pyridine;5-tert-butyl-6,7-difluoro-1H-indene;5-tert-butyl-7-fluoro-1H-indole;1-tert-butyl-2-methylbenzene;4-tert-butyl-2-methylidene-1,3-dihydroindene;4-tert-butyl-6-methyl-1H-indole;5-tert-butyl-3-methyl-1H-indole;5-tert-butyl-6-methyl-1H-indole;4-tert-butyl-3-methyl-1H-isoindole;4-tert-butyl-3-methyl-2-methylidene-1H-benzimidazole;4-tert-butyl-5-methylpyridin-2-amine;tetrakis(5-tert-butyl-3-methylpyridin-2-amine)
PubChem CID167636951
Molecular FormulaC200H274ClF5N22
Molecular Weight3116.99 g/mol
Exact Mass3114.17
IUPAC Name2-amino-5-tert-butylpyridine-3-carbonitrile;5-tert-butyl-6-chloro-1H-indole;5-tert-butyl-2-(3,3-difluorobutyl)pyridine;5-tert-butyl-6,7-difluoro-1H-indene;5-tert-butyl-7-fluoro-1H-indole;1-tert-butyl-2-methylbenzene;4-tert-butyl-2-methylidene-1,3-dihydroindene;4-tert-butyl-6-methyl-1H-indole;5-tert-butyl-3-methyl-1H-indole;5-tert-butyl-6-methyl-1H-indole;4-tert-butyl-3-methyl-1H-isoindole;4-tert-butyl-3-methyl-2-methylidene-1H-benzimidazole;4-tert-butyl-5-methylpyridin-2-amine;tetrakis(5-tert-butyl-3-methylpyridin-2-amine)
SMILESC=C1Cc2cccc(C(C)(C)C)c2C1.C=C1Nc2cccc(C(C)(C)C)c2N1C.CC(C)(C)c1cc(F)c2[nH]ccc2c1.CC(C)(C)c1cc2c(c(F)c1F)CC=C2.CC(C)(C)c1cc2cc[nH]c2cc1Cl.CC(C)(C)c1cnc(N)c(C#N)c1.CC(F)(F)CCc1ccc(C(C)(C)C)cn1.CC1=NCc2cccc(C(C)(C)C)c21.Cc1c[nH]c2ccc(C(C)(C)C)cc12.Cc1cc(C(C)(C)C)c2cc[nH]c2c1.Cc1cc(C(C)(C)C)cnc1N.Cc1cc(C(C)(C)C)cnc1N.Cc1cc(C(C)(C)C)cnc1N.Cc1cc(C(C)(C)C)cnc1N.Cc1cc2[nH]ccc2cc1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1cnc(N)cc1C(C)(C)C
InChIInChI=1S/C14H18.C13H19F2N.C13H14F2.C13H18N2.4C13H17N.C12H14ClN.C12H14FN.C11H16.C10H13N3.5C10H16N2/c1-10-8-11-6-5-7-13(12(11)9-10)14(2,3)4;1-12(2,3)10-5-6-11(16-9-10)7-8-13(4,14)15;1-13(2,3)10-7-8-5-4-6-9(8)11(14)12(10)15;1-9-14-11-8-6-7-10(13(2,3)4)12(11)15(9)5;1-9-8-14-12-6-5-10(7-11(9)12)13(2,3)4;1-9-7-12-10(5-6-14-12)8-11(9)13(2,3)4;1-9-7-11(13(2,3)4)10-5-6-14-12(10)8-9;1-9-12-10(8-14-9)6-5-7-11(12)13(2,3)4;1-12(2,3)9-6-8-4-5-14-11(8)7-10(9)13;1-12(2,3)9-6-8-4-5-14-11(8)10(13)7-9;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-4-7(5-11)9(12)13-6-8;1-7-6-12-9(11)5-8(7)10(2,3)4;4*1-7-5-8(10(2,3)4)6-12-9(7)11/h5-7H,1,8-9H2,2-4H3;5-6,9H,7-8H2,1-4H3;4-5,7H,6H2,1-3H3;6-8,14H,1H2,2-5H3;3*5-8,14H,1-4H3;5-7H,8H2,1-4H3;2*4-7,14H,1-3H3;5-8H,1-4H3;4,6H,1-3H3,(H2,12,13);5*5-6H,1-4H3,(H2,11,12)
InChIKeyOPOHANZISPXFSJ-UHFFFAOYSA-N
XLogP53.58
TPSA376.72 Ų
H-Bond Donors12
H-Bond Acceptors17
Rotatable Bonds3
Heavy Atoms228
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003116.99
LogP ≤ 553.58
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 2-amino-5-tert-butylpyridine-3-carbonitrile;5-tert-butyl-6-chloro-1H-indole;5-tert-butyl-2-(3,3-difluorobutyl)pyridine;5-tert-butyl-6,7-difluoro-1H-indene;5-tert-butyl-7-fluoro-1H-indole;1-tert-butyl-2-methylbenzene;4-tert-butyl-2-methylidene-1,3-dihydroindene;4-tert-butyl-6-methyl-1H-indole;5-tert-butyl-3-methyl-1H-indole;5-tert-butyl-6-methyl-1H-indole;4-tert-butyl-3-methyl-1H-isoindole;4-tert-butyl-3-methyl-2-methylidene-1H-benzimidazole;4-tert-butyl-5-methylpyridin-2-amine;tetrakis(5-tert-butyl-3-methylpyridin-2-amine) with MolForge

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Related Compounds

8-[5-(1H-benzimidazol-2-yl)-6-methyl-3-pyridinyl]-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine;2-[2-chloro-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]phenyl]-6-methyl-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-3-pyridinyl]-6-methyl-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-methyl-1H-benzimidazole
CID 158851577
acetonitrile;3-(6-chloro-7-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-(6-chloro-7-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,3-difluoro-5-(trifluoromethyl)pyridine;hydrochloride
CID 159518096
2-[2-chloro-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]phenyl]-6-fluoro-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-3-pyridinyl]-6-fluoro-1H-benzimidazole;2-[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)phenyl]-6-fluoro-1H-benzimidazole
CID 160673728
3-[2-amino-2-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethyl]benzonitrile;2-(4-chlorophenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;2-(3,4-difluorophenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;2-(3-methylphenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;(1R)-2-phenyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;(1R)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 160808454
9-[6-(10-Anthracen-2-ylanthracen-9-yl)naphthalen-2-yl]-5-chloropyrido[2,3-b]indole;5-[4-[4-[10-(4-chlorophenyl)anthracen-9-yl]phenyl]-3-methylphenyl]-8-phenylpyrido[4,3-b]indole;6-fluoro-5-[4-[4-(10-phenanthren-9-ylanthracen-9-yl)naphthalen-1-yl]phenyl]pyrido[3,2-b]indole;9-[3-methyl-4-[4-[10-phenyl-2-(trifluoromethyl)anthracen-9-yl]phenyl]phenyl]pyrido[2,3-b]indole;9-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphthalen-1-yl]pyrido[2,3-b]indole;5-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-8-phenylpyrido[4,3-b]indole;5-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]pyrido[4,3-b]indole;5-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]pyrido[4,3-b]indole;9-[4-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]naphthalen-1-yl]pyrido[3,4-b]indole
CID 162196597
5-tert-butyl-6,7-difluoro-1H-indene;4-tert-butyl-2-methylidene-1,3-dihydroindene;4-tert-butyl-6-methyl-1H-indole;5-tert-butyl-6-methyl-1H-indole;5-tert-butyl-7-methyl-1H-indole;4-tert-butyl-3-methyl-1H-isoindole;4-tert-butyl-3-methyl-2-methylidene-1H-benzimidazole;4-tert-butyl-5-methylpyridin-2-amine;tetrakis(5-tert-butyl-3-methylpyridin-2-amine);5-tert-butyl-2-(3,3,3-trifluoropropyl)pyridine;methane;1-methyl-2-propan-2-ylbenzene
CID 167552144
2-[2,5-Bis[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile;2-[2,5-bis[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile;2-[2,5-bis[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile;2-[2,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile;2-[2,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;2-[2,5-bis[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;2-[2,5-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 168389707
1-tert-butyl-4-chlorobenzene;3-tert-butyl-6-chloro-1H-indole;2-tert-butyl-5-chloropyridine;3-tert-butyl-5-chloropyridine;3-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-6-fluoro-1H-indole;3-tert-butyl-1H-indole;3-tert-butyl-4-methyl-1H-indene;3-tert-butyl-5-methyl-1H-indole;3-tert-butyl-6-methyl-1H-indole;tris(3-tert-butyl-7-methyl-1H-indole);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine
CID 157139441
3-butylbenzimidazole-5-carbonitrile;1-butyl-6-chloroindole;1-butyl-6-fluorobenzimidazole;6-chloro-1-propylindole;6-fluoro-1-propylbenzimidazole;1H-indole-6-carbonitrile;pentane;1-propylbenzimidazole;1-propylindole-6-carbonitrile
CID 159700921

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-tert-butylpyridine-3-carbonitrile;5-tert-butyl-6-chloro-1H-indole;5-tert-butyl-2-(3,3-difluorobutyl)pyridine;5-tert-butyl-6,7-difluoro-1H-indene;5-tert-butyl-7-fluoro-1H-indole;1-tert-butyl-2-methylbenzene;4-tert-butyl-2-methylidene-1,3-dihydroindene;4-tert-butyl-6-methyl-1H-indole;5-tert-butyl-3-methyl-1H-indole;5-tert-butyl-6-methyl-1H-indole;4-tert-butyl-3-methyl-1H-isoindole;4-tert-butyl-3-methyl-2-methylidene-1H-benzimidazole;4-tert-butyl-5-methylpyridin-2-amine;tetrakis(5-tert-butyl-3-methylpyridin-2-amine)?
The IUPAC name of 2-amino-5-tert-butylpyridine-3-carbonitrile;5-tert-butyl-6-chloro-1H-indole;5-tert-butyl-2-(3,3-difluorobutyl)pyridine;5-tert-butyl-6,7-difluoro-1H-indene;5-tert-butyl-7-fluoro-1H-indole;1-tert-butyl-2-methylbenzene;4-tert-butyl-2-methylidene-1,3-dihydroindene;4-tert-butyl-6-methyl-1H-indole;5-tert-butyl-3-methyl-1H-indole;5-tert-butyl-6-methyl-1H-indole;4-tert-butyl-3-methyl-1H-isoindole;4-tert-butyl-3-methyl-2-methylidene-1H-benzimidazole;4-tert-butyl-5-methylpyridin-2-amine;tetrakis(5-tert-butyl-3-methylpyridin-2-amine) (CID 167636951) is 2-amino-5-tert-butylpyridine-3-carbonitrile;5-tert-butyl-6-chloro-1H-indole;5-tert-butyl-2-(3,3-difluorobutyl)pyridine;5-tert-butyl-6,7-difluoro-1H-indene;5-tert-butyl-7-fluoro-1H-indole;1-tert-butyl-2-methylbenzene;4-tert-butyl-2-methylidene-1,3-dihydroindene;4-tert-butyl-6-methyl-1H-indole;5-tert-butyl-3-methyl-1H-indole;5-tert-butyl-6-methyl-1H-indole;4-tert-butyl-3-methyl-1H-isoindole;4-tert-butyl-3-methyl-2-methylidene-1H-benzimidazole;4-tert-butyl-5-methylpyridin-2-amine;tetrakis(5-tert-butyl-3-methylpyridin-2-amine).
What is the SMILES notation for 2-amino-5-tert-butylpyridine-3-carbonitrile;5-tert-butyl-6-chloro-1H-indole;5-tert-butyl-2-(3,3-difluorobutyl)pyridine;5-tert-butyl-6,7-difluoro-1H-indene;5-tert-butyl-7-fluoro-1H-indole;1-tert-butyl-2-methylbenzene;4-tert-butyl-2-methylidene-1,3-dihydroindene;4-tert-butyl-6-methyl-1H-indole;5-tert-butyl-3-methyl-1H-indole;5-tert-butyl-6-methyl-1H-indole;4-tert-butyl-3-methyl-1H-isoindole;4-tert-butyl-3-methyl-2-methylidene-1H-benzimidazole;4-tert-butyl-5-methylpyridin-2-amine;tetrakis(5-tert-butyl-3-methylpyridin-2-amine)?
The canonical SMILES for 2-amino-5-tert-butylpyridine-3-carbonitrile;5-tert-butyl-6-chloro-1H-indole;5-tert-butyl-2-(3,3-difluorobutyl)pyridine;5-tert-butyl-6,7-difluoro-1H-indene;5-tert-butyl-7-fluoro-1H-indole;1-tert-butyl-2-methylbenzene;4-tert-butyl-2-methylidene-1,3-dihydroindene;4-tert-butyl-6-methyl-1H-indole;5-tert-butyl-3-methyl-1H-indole;5-tert-butyl-6-methyl-1H-indole;4-tert-butyl-3-methyl-1H-isoindole;4-tert-butyl-3-methyl-2-methylidene-1H-benzimidazole;4-tert-butyl-5-methylpyridin-2-amine;tetrakis(5-tert-butyl-3-methylpyridin-2-amine) is C=C1Cc2cccc(C(C)(C)C)c2C1.C=C1Nc2cccc(C(C)(C)C)c2N1C.CC(C)(C)c1cc(F)c2[nH]ccc2c1.CC(C)(C)c1cc2c(c(F)c1F)CC=C2.CC(C)(C)c1cc2cc[nH]c2cc1Cl.CC(C)(C)c1cnc(N)c(C#N)c1.CC(F)(F)CCc1ccc(C(C)(C)C)cn1.CC1=NCc2cccc(C(C)(C)C)c21.Cc1c[nH]c2ccc(C(C)(C)C)cc12.Cc1cc(C(C)(C)C)c2cc[nH]c2c1.Cc1cc(C(C)(C)C)cnc1N.Cc1cc(C(C)(C)C)cnc1N.Cc1cc(C(C)(C)C)cnc1N.Cc1cc(C(C)(C)C)cnc1N.Cc1cc2[nH]ccc2cc1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1cnc(N)cc1C(C)(C)C.
What is the InChIKey of 2-amino-5-tert-butylpyridine-3-carbonitrile;5-tert-butyl-6-chloro-1H-indole;5-tert-butyl-2-(3,3-difluorobutyl)pyridine;5-tert-butyl-6,7-difluoro-1H-indene;5-tert-butyl-7-fluoro-1H-indole;1-tert-butyl-2-methylbenzene;4-tert-butyl-2-methylidene-1,3-dihydroindene;4-tert-butyl-6-methyl-1H-indole;5-tert-butyl-3-methyl-1H-indole;5-tert-butyl-6-methyl-1H-indole;4-tert-butyl-3-methyl-1H-isoindole;4-tert-butyl-3-methyl-2-methylidene-1H-benzimidazole;4-tert-butyl-5-methylpyridin-2-amine;tetrakis(5-tert-butyl-3-methylpyridin-2-amine)?
The InChIKey is OPOHANZISPXFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18.C13H19F2N.C13H14F2.C13H18N2.4C13H17N.C12H14ClN.C12H14FN.C11H16.C10H13N3.5C10H16N2/c1-10-8-11-6-5-7-13(12(11)9-10)14(2,3)4;1-12(2,3)10-5-6-11(16-9-10)7-8-13(4,14)15;1-13(2,3)10-7-8-5-4-6-9(8)11(14)12(10)15;1-9-14-11-8-6-7-10(13(2,3)4)12(11)15(9)5;1-9-8-14-12-6-5-10(7-11(9)12)13(2,3)4;1-9-7-12-10(5-6-14-12)8-11(9)13(2,3)4;1-9-7-11(13(2,3)4)10-5-6-14-12(10)8-9;1-9-12-10(8-14-9)6-5-7-11(12)13(2,3)4;1-12(2,3)9-6-8-4-5-14-11(8)7-10(9)13;1-12(2,3)9-6-8-4-5-14-11(8)10(13)7-9;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-4-7(5-11)9(12)13-6-8;1-7-6-12-9(11)5-8(7)10(2,3)4;4*1-7-5-8(10(2,3)4)6-12-9(7)11/h5-7H,1,8-9H2,2-4H3;5-6,9H,7-8H2,1-4H3;4-5,7H,6H2,1-3H3;6-8,14H,1H2,2-5H3;3*5-8,14H,1-4H3;5-7H,8H2,1-4H3;2*4-7,14H,1-3H3;5-8H,1-4H3;4,6H,1-3H3,(H2,12,13);5*5-6H,1-4H3,(H2,11,12).
What are the key properties of 2-amino-5-tert-butylpyridine-3-carbonitrile;5-tert-butyl-6-chloro-1H-indole;5-tert-butyl-2-(3,3-difluorobutyl)pyridine;5-tert-butyl-6,7-difluoro-1H-indene;5-tert-butyl-7-fluoro-1H-indole;1-tert-butyl-2-methylbenzene;4-tert-butyl-2-methylidene-1,3-dihydroindene;4-tert-butyl-6-methyl-1H-indole;5-tert-butyl-3-methyl-1H-indole;5-tert-butyl-6-methyl-1H-indole;4-tert-butyl-3-methyl-1H-isoindole;4-tert-butyl-3-methyl-2-methylidene-1H-benzimidazole;4-tert-butyl-5-methylpyridin-2-amine;tetrakis(5-tert-butyl-3-methylpyridin-2-amine)?
2-amino-5-tert-butylpyridine-3-carbonitrile;5-tert-butyl-6-chloro-1H-indole;5-tert-butyl-2-(3,3-difluorobutyl)pyridine;5-tert-butyl-6,7-difluoro-1H-indene;5-tert-butyl-7-fluoro-1H-indole;1-tert-butyl-2-methylbenzene;4-tert-butyl-2-methylidene-1,3-dihydroindene;4-tert-butyl-6-methyl-1H-indole;5-tert-butyl-3-methyl-1H-indole;5-tert-butyl-6-methyl-1H-indole;4-tert-butyl-3-methyl-1H-isoindole;4-tert-butyl-3-methyl-2-methylidene-1H-benzimidazole;4-tert-butyl-5-methylpyridin-2-amine;tetrakis(5-tert-butyl-3-methylpyridin-2-amine) has a molecular weight of 3116.99 g/mol, XLogP of 53.58, 3 rotatable bonds, 12 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-tert-butylpyridine-3-carbonitrile;5-tert-butyl-6-chloro-1H-indole;5-tert-butyl-2-(3,3-difluorobutyl)pyridine;5-tert-butyl-6,7-difluoro-1H-indene;5-tert-butyl-7-fluoro-1H-indole;1-tert-butyl-2-methylbenzene;4-tert-butyl-2-methylidene-1,3-dihydroindene;4-tert-butyl-6-methyl-1H-indole;5-tert-butyl-3-methyl-1H-indole;5-tert-butyl-6-methyl-1H-indole;4-tert-butyl-3-methyl-1H-isoindole;4-tert-butyl-3-methyl-2-methylidene-1H-benzimidazole;4-tert-butyl-5-methylpyridin-2-amine;tetrakis(5-tert-butyl-3-methylpyridin-2-amine) is sourced from PubChem (CID 167636951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).