3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indene;3-tert-butyl-6-chloro-1H-indole;2-tert-butyl-5-chloropyridine;3-tert-butyl-5-chloropyridine;5-tert-butyl-2-chloropyridine;3-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-fluoro-1H-indene;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-indene;3-tert-butyl-6-methyl-1H-indene;tris(3-tert-butyl-7-methyl-1H-indole);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine

C216H274Cl6F3N11 — CID 158592722

IUPAC3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indene;3-tert-butyl-6-chloro-1H-indole;2-tert-butyl-5-chloropyridine;3-tert-butyl-5-chloropyridine;5-tert-butyl-2-chloropyridine;3-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-fluoro-1H-indene;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-indene;3-tert-butyl-6-methyl-1H-indene;tris(3-tert-butyl-7-methyl-1H-indole);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine
SMILESCC(C)(C)C1=CCc2ccc(Cl)cc21.CC(C)(C)C1=CCc2ccc(F)cc21.CC(C)(C)C1=CCc2cccc(Cl)c21.CC(C)(C)C1=CCc2cccc(F)c21.CC(C)(C)c1c[nH]c2cc(Cl)ccc12.CC(C)(C)c1c[nH]c2cc(F)ccc12.CC(C)(C)c1c[nH]c2ccccc12.CC(C)(C)c1ccc(Cl)cn1.CC(C)(C)c1ccc(Cl)nc1.CC(C)(C)c1cncc(Cl)c1.Cc1cc(C(C)(C)C)ccn1.Cc1ccc2c(c1)C(C(C)(C)C)=CC2.Cc1ccc2c(c1)CC=C2C(C)(C)C.Cc1cccc(C(C)(C)C)n1.Cc1cccc2c(C(C)(C)C)c[nH]c12.Cc1cccc2c(C(C)(C)C)c[nH]c12.Cc1cccc2c(C(C)(C)C)c[nH]c12.Cc1cccc2c1C(C(C)(C)C)=CC2
InChIInChI=1S/3C14H18.2C13H15Cl.2C13H15F.3C13H17N.C12H14ClN.C12H14FN.C12H15N.2C10H15N.3C9H12ClN/c1-10-5-7-12-11(9-10)6-8-13(12)14(2,3)4;1-10-5-6-11-7-8-13(12(11)9-10)14(2,3)4;1-10-6-5-7-11-8-9-12(13(10)11)14(2,3)4;1-13(2,3)12-7-5-9-4-6-10(14)8-11(9)12;1-13(2,3)10-8-7-9-5-4-6-11(14)12(9)10;1-13(2,3)12-7-5-9-4-6-10(14)8-11(9)12;1-13(2,3)10-8-7-9-5-4-6-11(14)12(9)10;3*1-9-6-5-7-10-11(13(2,3)4)8-14-12(9)10;2*1-12(2,3)10-7-14-11-6-8(13)4-5-9(10)11;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-8-7-9(5-6-11-8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;1-9(2,3)7-4-8(10)6-11-5-7;1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)7-4-5-8(10)11-6-7/h5,7-9H,6H2,1-4H3;5-6,8-9H,7H2,1-4H3;5-7,9H,8H2,1-4H3;4,6-8H,5H2,1-3H3;4-6,8H,7H2,1-3H3;4,6-8H,5H2,1-3H3;4-6,8H,7H2,1-3H3;3*5-8,14H,1-4H3;2*4-7,14H,1-3H3;4-8,13H,1-3H3;2*5-7H,1-4H3;3*4-6H,1-3H3
InChIKeyHUQITDAUTZOVPD-UHFFFAOYSA-N
MW3294.36 g/mol
LogP65.20
Rot. Bonds

About 3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indene;3-tert-butyl-6-chloro-1H-indole;2-tert-butyl-5-chloropyridine;3-tert-butyl-5-chloropyridine;5-tert-butyl-2-chloropyridine;3-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-fluoro-1H-indene;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-indene;3-tert-butyl-6-methyl-1H-indene;tris(3-tert-butyl-7-methyl-1H-indole);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine

3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indene;3-tert-butyl-6-chloro-1H-indole;2-tert-butyl-5-chloropyridine;3-tert-butyl-5-chloropyridine;5-tert-butyl-2-chloropyridine;3-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-fluoro-1H-indene;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-indene;3-tert-butyl-6-methyl-1H-indene;tris(3-tert-butyl-7-methyl-1H-indole);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine (PubChem CID 158592722) has the molecular formula C216H274Cl6F3N11 and a molecular weight of 3294.36 g/mol. Its IUPAC name is 3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indene;3-tert-butyl-6-chloro-1H-indole;2-tert-butyl-5-chloropyridine;3-tert-butyl-5-chloropyridine;5-tert-butyl-2-chloropyridine;3-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-fluoro-1H-indene;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-indene;3-tert-butyl-6-methyl-1H-indene;tris(3-tert-butyl-7-methyl-1H-indole);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine.

Molecular Properties

Compound Name3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indene;3-tert-butyl-6-chloro-1H-indole;2-tert-butyl-5-chloropyridine;3-tert-butyl-5-chloropyridine;5-tert-butyl-2-chloropyridine;3-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-fluoro-1H-indene;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-indene;3-tert-butyl-6-methyl-1H-indene;tris(3-tert-butyl-7-methyl-1H-indole);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine
PubChem CID158592722
Molecular FormulaC216H274Cl6F3N11
Molecular Weight3294.36 g/mol
Exact Mass3288.99
IUPAC Name3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indene;3-tert-butyl-6-chloro-1H-indole;2-tert-butyl-5-chloropyridine;3-tert-butyl-5-chloropyridine;5-tert-butyl-2-chloropyridine;3-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-fluoro-1H-indene;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-indene;3-tert-butyl-6-methyl-1H-indene;tris(3-tert-butyl-7-methyl-1H-indole);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine
SMILESCC(C)(C)C1=CCc2ccc(Cl)cc21.CC(C)(C)C1=CCc2ccc(F)cc21.CC(C)(C)C1=CCc2cccc(Cl)c21.CC(C)(C)C1=CCc2cccc(F)c21.CC(C)(C)c1c[nH]c2cc(Cl)ccc12.CC(C)(C)c1c[nH]c2cc(F)ccc12.CC(C)(C)c1c[nH]c2ccccc12.CC(C)(C)c1ccc(Cl)cn1.CC(C)(C)c1ccc(Cl)nc1.CC(C)(C)c1cncc(Cl)c1.Cc1cc(C(C)(C)C)ccn1.Cc1ccc2c(c1)C(C(C)(C)C)=CC2.Cc1ccc2c(c1)CC=C2C(C)(C)C.Cc1cccc(C(C)(C)C)n1.Cc1cccc2c(C(C)(C)C)c[nH]c12.Cc1cccc2c(C(C)(C)C)c[nH]c12.Cc1cccc2c(C(C)(C)C)c[nH]c12.Cc1cccc2c1C(C(C)(C)C)=CC2
InChIInChI=1S/3C14H18.2C13H15Cl.2C13H15F.3C13H17N.C12H14ClN.C12H14FN.C12H15N.2C10H15N.3C9H12ClN/c1-10-5-7-12-11(9-10)6-8-13(12)14(2,3)4;1-10-5-6-11-7-8-13(12(11)9-10)14(2,3)4;1-10-6-5-7-11-8-9-12(13(10)11)14(2,3)4;1-13(2,3)12-7-5-9-4-6-10(14)8-11(9)12;1-13(2,3)10-8-7-9-5-4-6-11(14)12(9)10;1-13(2,3)12-7-5-9-4-6-10(14)8-11(9)12;1-13(2,3)10-8-7-9-5-4-6-11(14)12(9)10;3*1-9-6-5-7-10-11(13(2,3)4)8-14-12(9)10;2*1-12(2,3)10-7-14-11-6-8(13)4-5-9(10)11;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-8-7-9(5-6-11-8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;1-9(2,3)7-4-8(10)6-11-5-7;1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)7-4-5-8(10)11-6-7/h5,7-9H,6H2,1-4H3;5-6,8-9H,7H2,1-4H3;5-7,9H,8H2,1-4H3;4,6-8H,5H2,1-3H3;4-6,8H,7H2,1-3H3;4,6-8H,5H2,1-3H3;4-6,8H,7H2,1-3H3;3*5-8,14H,1-4H3;2*4-7,14H,1-3H3;4-8,13H,1-3H3;2*5-7H,1-4H3;3*4-6H,1-3H3
InChIKeyHUQITDAUTZOVPD-UHFFFAOYSA-N
XLogP65.20
TPSA159.19 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms236
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003294.36
LogP ≤ 565.20
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indene;3-tert-butyl-6-chloro-1H-indole;2-tert-butyl-5-chloropyridine;3-tert-butyl-5-chloropyridine;5-tert-butyl-2-chloropyridine;3-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-fluoro-1H-indene;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-indene;3-tert-butyl-6-methyl-1H-indene;tris(3-tert-butyl-7-methyl-1H-indole);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine with MolForge

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Related Compounds

[4-(6-chloro-5-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-lambda6-sulfane;[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-lambda6-sulfane;[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-lambda6-sulfane;5,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;methyl-methylidene-oxo-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]-lambda6-sulfane
CID 157136724
6-Chloro-2-(2-chlorophenyl)pyrazolo[1,5-a]pyridine;6-chloro-2-(3-chlorophenyl)pyrazolo[1,5-a]pyridine;6-chloro-2-(4-chlorophenyl)pyrazolo[1,5-a]pyridine;6-chloro-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine;6-chloro-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine;6-chloro-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine
CID 159482111
6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene-2-carbonitrile;7-tert-butyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-2,3,4,9-tetrahydro-1H-fluorene;6-tert-butyl-5-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-1H-indole;5,6-ditert-butyl-1H-indole
CID 159501951
3-[1-(amino-methylidene-oxo-lambda6-sulfanyl)piperidin-4-yl]-6-fluoro-1H-indole;[4-(5-chloro-6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-methyl-methylidene-oxo-lambda6-sulfane;[4-(6-chloro-5-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-lambda6-sulfane;[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-lambda6-sulfane;methyl-methylidene-oxo-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]-lambda6-sulfane
CID 160900274
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
2-tert-butyl-6-(2-chloro-6-fluoro-4-methylphenyl)pyridine;2-tert-butyl-6-cyclopropylpyridine;3-tert-butyl-1,1-dimethylcyclohexane;1-tert-butyl-2-fluoro-3-(3-methylphenyl)benzene;2-tert-butyl-3-fluoro-6-methylpyridine;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(2-methylphenyl)pyridine;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-(3-tert-butylphenyl)-1-chloro-3,5-difluorobenzene;2-tert-butyl-6-(2H-pyrrol-4-yl)pyridine;2-tert-butyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-fluoro-2,4,4-trimethylpent-2-ene
CID 157272464
3-butan-2-yl-5-fluoro-1H-indole;3-butyl-5-fluoro-1H-indole;5-chloro-1-methyl-3-propylindole;5-chloro-7-methyl-3-propyl-1H-indole;3-(2,2-dimethylpropyl)-5-fluoro-1H-indole;5-fluoro-3-(2-methylpropyl)-1H-indole;5-fluoro-3-prop-1-ynyl-1H-indole
CID 157275964
4-chloro-3-piperidin-4-yl-1H-indole;5-chloro-3-piperidin-4-yl-1H-indole;6-chloro-3-piperidin-4-yl-1H-indole;4-fluoro-3-piperidin-4-yl-1H-indole;5-fluoro-3-piperidin-4-yl-1H-indole
CID 157358599
3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-6-fluoro-1H-indole;2-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)methyl]-1H-indole;3-[3-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;methane;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole
CID 157464598
6-chloro-9-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;6-chloro-2-methyl-9-[(E)-2-(6-methyl-3-pyridinyl)ethenyl]-3,4-dihydro-1H-pyrido[3,4-b]indole;2,6-dimethyl-9-[(E)-2-(6-methyl-3-pyridinyl)ethenyl]-3,4-dihydro-1H-pyrido[3,4-b]indole;2,6-dimethyl-9-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[3,4-b]indole;9-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole
CID 157508322
8-bromo-2-(7-methyl-1H-indol-3-yl)quinoline;2-(5-chloro-7-methyl-1H-indol-3-yl)quinoline;5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline;2-(7-ethynyl-5-fluoro-1H-indol-3-yl)-7-fluoroquinoline;5-fluoro-2-(5-fluoro-6-methyl-1H-indol-3-yl)quinoline;2-(6-methyl-1H-indol-3-yl)quinoline;3-(7-methyl-1H-indol-3-yl)quinoline;4-methyl-2-(7-methyl-1H-indol-3-yl)quinoline
CID 157552350
N-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine;N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine;N-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine;N-[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine;N-[1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine;N-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine;N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine
CID 157832254

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indene;3-tert-butyl-6-chloro-1H-indole;2-tert-butyl-5-chloropyridine;3-tert-butyl-5-chloropyridine;5-tert-butyl-2-chloropyridine;3-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-fluoro-1H-indene;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-indene;3-tert-butyl-6-methyl-1H-indene;tris(3-tert-butyl-7-methyl-1H-indole);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine?
The IUPAC name of 3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indene;3-tert-butyl-6-chloro-1H-indole;2-tert-butyl-5-chloropyridine;3-tert-butyl-5-chloropyridine;5-tert-butyl-2-chloropyridine;3-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-fluoro-1H-indene;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-indene;3-tert-butyl-6-methyl-1H-indene;tris(3-tert-butyl-7-methyl-1H-indole);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine (CID 158592722) is 3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indene;3-tert-butyl-6-chloro-1H-indole;2-tert-butyl-5-chloropyridine;3-tert-butyl-5-chloropyridine;5-tert-butyl-2-chloropyridine;3-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-fluoro-1H-indene;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-indene;3-tert-butyl-6-methyl-1H-indene;tris(3-tert-butyl-7-methyl-1H-indole);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine.
What is the SMILES notation for 3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indene;3-tert-butyl-6-chloro-1H-indole;2-tert-butyl-5-chloropyridine;3-tert-butyl-5-chloropyridine;5-tert-butyl-2-chloropyridine;3-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-fluoro-1H-indene;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-indene;3-tert-butyl-6-methyl-1H-indene;tris(3-tert-butyl-7-methyl-1H-indole);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine?
The canonical SMILES for 3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indene;3-tert-butyl-6-chloro-1H-indole;2-tert-butyl-5-chloropyridine;3-tert-butyl-5-chloropyridine;5-tert-butyl-2-chloropyridine;3-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-fluoro-1H-indene;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-indene;3-tert-butyl-6-methyl-1H-indene;tris(3-tert-butyl-7-methyl-1H-indole);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine is CC(C)(C)C1=CCc2ccc(Cl)cc21.CC(C)(C)C1=CCc2ccc(F)cc21.CC(C)(C)C1=CCc2cccc(Cl)c21.CC(C)(C)C1=CCc2cccc(F)c21.CC(C)(C)c1c[nH]c2cc(Cl)ccc12.CC(C)(C)c1c[nH]c2cc(F)ccc12.CC(C)(C)c1c[nH]c2ccccc12.CC(C)(C)c1ccc(Cl)cn1.CC(C)(C)c1ccc(Cl)nc1.CC(C)(C)c1cncc(Cl)c1.Cc1cc(C(C)(C)C)ccn1.Cc1ccc2c(c1)C(C(C)(C)C)=CC2.Cc1ccc2c(c1)CC=C2C(C)(C)C.Cc1cccc(C(C)(C)C)n1.Cc1cccc2c(C(C)(C)C)c[nH]c12.Cc1cccc2c(C(C)(C)C)c[nH]c12.Cc1cccc2c(C(C)(C)C)c[nH]c12.Cc1cccc2c1C(C(C)(C)C)=CC2.
What is the InChIKey of 3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indene;3-tert-butyl-6-chloro-1H-indole;2-tert-butyl-5-chloropyridine;3-tert-butyl-5-chloropyridine;5-tert-butyl-2-chloropyridine;3-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-fluoro-1H-indene;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-indene;3-tert-butyl-6-methyl-1H-indene;tris(3-tert-butyl-7-methyl-1H-indole);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine?
The InChIKey is HUQITDAUTZOVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H18.2C13H15Cl.2C13H15F.3C13H17N.C12H14ClN.C12H14FN.C12H15N.2C10H15N.3C9H12ClN/c1-10-5-7-12-11(9-10)6-8-13(12)14(2,3)4;1-10-5-6-11-7-8-13(12(11)9-10)14(2,3)4;1-10-6-5-7-11-8-9-12(13(10)11)14(2,3)4;1-13(2,3)12-7-5-9-4-6-10(14)8-11(9)12;1-13(2,3)10-8-7-9-5-4-6-11(14)12(9)10;1-13(2,3)12-7-5-9-4-6-10(14)8-11(9)12;1-13(2,3)10-8-7-9-5-4-6-11(14)12(9)10;3*1-9-6-5-7-10-11(13(2,3)4)8-14-12(9)10;2*1-12(2,3)10-7-14-11-6-8(13)4-5-9(10)11;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-8-7-9(5-6-11-8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;1-9(2,3)7-4-8(10)6-11-5-7;1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)7-4-5-8(10)11-6-7/h5,7-9H,6H2,1-4H3;5-6,8-9H,7H2,1-4H3;5-7,9H,8H2,1-4H3;4,6-8H,5H2,1-3H3;4-6,8H,7H2,1-3H3;4,6-8H,5H2,1-3H3;4-6,8H,7H2,1-3H3;3*5-8,14H,1-4H3;2*4-7,14H,1-3H3;4-8,13H,1-3H3;2*5-7H,1-4H3;3*4-6H,1-3H3.
What are the key properties of 3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indene;3-tert-butyl-6-chloro-1H-indole;2-tert-butyl-5-chloropyridine;3-tert-butyl-5-chloropyridine;5-tert-butyl-2-chloropyridine;3-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-fluoro-1H-indene;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-indene;3-tert-butyl-6-methyl-1H-indene;tris(3-tert-butyl-7-methyl-1H-indole);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine?
3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indene;3-tert-butyl-6-chloro-1H-indole;2-tert-butyl-5-chloropyridine;3-tert-butyl-5-chloropyridine;5-tert-butyl-2-chloropyridine;3-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-fluoro-1H-indene;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-indene;3-tert-butyl-6-methyl-1H-indene;tris(3-tert-butyl-7-methyl-1H-indole);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine has a molecular weight of 3294.36 g/mol, XLogP of 65.20, 0 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indene;3-tert-butyl-6-chloro-1H-indole;2-tert-butyl-5-chloropyridine;3-tert-butyl-5-chloropyridine;5-tert-butyl-2-chloropyridine;3-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-fluoro-1H-indene;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-indene;3-tert-butyl-6-methyl-1H-indene;tris(3-tert-butyl-7-methyl-1H-indole);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine is sourced from PubChem (CID 158592722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).