tert-butylbenzene;1-tert-butyl-2-chlorobenzene;2-tert-butyl-5-chloropyridine;3-tert-butyl-2-chloropyridine;3-tert-butyl-5-chloropyridine;4-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;5-tert-butyl-2-chloropyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;3-tert-butyl-2-fluoropyridine;4-tert-butyl-2-fluoropyridine;4-tert-butyl-3-fluoropyridine;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);3-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;3-tert-butylpyridine;4-tert-butylpyridine

C260H362Cl7F8N19 — CID 158878931

IUPACtert-butylbenzene;1-tert-butyl-2-chlorobenzene;2-tert-butyl-5-chloropyridine;3-tert-butyl-2-chloropyridine;3-tert-butyl-5-chloropyridine;4-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;5-tert-butyl-2-chloropyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;3-tert-butyl-2-fluoropyridine;4-tert-butyl-2-fluoropyridine;4-tert-butyl-3-fluoropyridine;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);3-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;3-tert-butylpyridine;4-tert-butylpyridine
SMILESCC(C)(C)c1ccc(Cl)cn1.CC(C)(C)c1ccc(Cl)nc1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc(F)cn1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1cccc(F)n1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1ccccc1F.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1Cl.CC(C)(C)c1cccnc1F.CC(C)(C)c1ccnc(Cl)c1.CC(C)(C)c1ccnc(F)c1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1Cl.CC(C)(C)c1ccncc1F.CC(C)(C)c1cncc(Cl)c1.Cc1cc(C(C)(C)C)ccn1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)n1.Cc1cccc(C(C)(C)C)n1.Cc1ccccc1C(C)(C)C.Cc1cnccc1C(C)(C)C.Cc1ncccc1C(C)(C)C
InChIInChI=1S/3C11H16.C10H13Cl.3C10H13F.6C10H15N.C10H14.6C9H12ClN.5C9H12FN.2C9H13N/c1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-6-4-5-7-9(8)11;1-8-7-11-6-5-9(8)10(2,3)4;1-8-7-9(5-6-11-8)10(2,3)4;1-8-5-6-9(11-7-8)10(2,3)4;1-8-9(10(2,3)4)6-5-7-11-8;2*1-8-6-5-7-9(11-8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)7-4-8(10)6-11-5-7;1-9(2,3)7-4-5-11-6-8(7)10;1-9(2,3)7-4-5-11-8(10)6-7;1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)7-4-5-8(10)11-6-7;1-9(2,3)7-5-4-6-11-8(7)10;1-9(2,3)7-4-5-11-6-8(7)10;1-9(2,3)7-4-5-11-8(10)6-7;1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)7-5-4-6-11-8(7)10;1-9(2,3)7-5-4-6-8(10)11-7;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8/h3*5-8H,1-4H3;4*4-7H,1-3H3;6*5-7H,1-4H3;4-8H,1-3H3;11*4-6H,1-3H3;2*4-7H,1-3H3
InChIKeyJCUFWKSGAXAJGU-UHFFFAOYSA-N
MW4154.04 g/mol
LogP77.54
Rot. Bonds

About tert-butylbenzene;1-tert-butyl-2-chlorobenzene;2-tert-butyl-5-chloropyridine;3-tert-butyl-2-chloropyridine;3-tert-butyl-5-chloropyridine;4-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;5-tert-butyl-2-chloropyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;3-tert-butyl-2-fluoropyridine;4-tert-butyl-2-fluoropyridine;4-tert-butyl-3-fluoropyridine;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);3-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;3-tert-butylpyridine;4-tert-butylpyridine

tert-butylbenzene;1-tert-butyl-2-chlorobenzene;2-tert-butyl-5-chloropyridine;3-tert-butyl-2-chloropyridine;3-tert-butyl-5-chloropyridine;4-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;5-tert-butyl-2-chloropyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;3-tert-butyl-2-fluoropyridine;4-tert-butyl-2-fluoropyridine;4-tert-butyl-3-fluoropyridine;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);3-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;3-tert-butylpyridine;4-tert-butylpyridine (PubChem CID 158878931) has the molecular formula C260H362Cl7F8N19 and a molecular weight of 4154.04 g/mol. Its IUPAC name is tert-butylbenzene;1-tert-butyl-2-chlorobenzene;2-tert-butyl-5-chloropyridine;3-tert-butyl-2-chloropyridine;3-tert-butyl-5-chloropyridine;4-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;5-tert-butyl-2-chloropyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;3-tert-butyl-2-fluoropyridine;4-tert-butyl-2-fluoropyridine;4-tert-butyl-3-fluoropyridine;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);3-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;3-tert-butylpyridine;4-tert-butylpyridine.

Molecular Properties

Compound Nametert-butylbenzene;1-tert-butyl-2-chlorobenzene;2-tert-butyl-5-chloropyridine;3-tert-butyl-2-chloropyridine;3-tert-butyl-5-chloropyridine;4-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;5-tert-butyl-2-chloropyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;3-tert-butyl-2-fluoropyridine;4-tert-butyl-2-fluoropyridine;4-tert-butyl-3-fluoropyridine;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);3-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;3-tert-butylpyridine;4-tert-butylpyridine
PubChem CID158878931
Molecular FormulaC260H362Cl7F8N19
Molecular Weight4154.04 g/mol
Exact Mass4147.66
IUPAC Nametert-butylbenzene;1-tert-butyl-2-chlorobenzene;2-tert-butyl-5-chloropyridine;3-tert-butyl-2-chloropyridine;3-tert-butyl-5-chloropyridine;4-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;5-tert-butyl-2-chloropyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;3-tert-butyl-2-fluoropyridine;4-tert-butyl-2-fluoropyridine;4-tert-butyl-3-fluoropyridine;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);3-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;3-tert-butylpyridine;4-tert-butylpyridine
SMILESCC(C)(C)c1ccc(Cl)cn1.CC(C)(C)c1ccc(Cl)nc1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc(F)cn1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1cccc(F)n1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1ccccc1F.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1Cl.CC(C)(C)c1cccnc1F.CC(C)(C)c1ccnc(Cl)c1.CC(C)(C)c1ccnc(F)c1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1Cl.CC(C)(C)c1ccncc1F.CC(C)(C)c1cncc(Cl)c1.Cc1cc(C(C)(C)C)ccn1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)n1.Cc1cccc(C(C)(C)C)n1.Cc1ccccc1C(C)(C)C.Cc1cnccc1C(C)(C)C.Cc1ncccc1C(C)(C)C
InChIInChI=1S/3C11H16.C10H13Cl.3C10H13F.6C10H15N.C10H14.6C9H12ClN.5C9H12FN.2C9H13N/c1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-6-4-5-7-9(8)11;1-8-7-11-6-5-9(8)10(2,3)4;1-8-7-9(5-6-11-8)10(2,3)4;1-8-5-6-9(11-7-8)10(2,3)4;1-8-9(10(2,3)4)6-5-7-11-8;2*1-8-6-5-7-9(11-8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)7-4-8(10)6-11-5-7;1-9(2,3)7-4-5-11-6-8(7)10;1-9(2,3)7-4-5-11-8(10)6-7;1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)7-4-5-8(10)11-6-7;1-9(2,3)7-5-4-6-11-8(7)10;1-9(2,3)7-4-5-11-6-8(7)10;1-9(2,3)7-4-5-11-8(10)6-7;1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)7-5-4-6-11-8(7)10;1-9(2,3)7-5-4-6-8(10)11-7;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8/h3*5-8H,1-4H3;4*4-7H,1-3H3;6*5-7H,1-4H3;4-8H,1-3H3;11*4-6H,1-3H3;2*4-7H,1-3H3
InChIKeyJCUFWKSGAXAJGU-UHFFFAOYSA-N
XLogP77.54
TPSA244.91 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds
Heavy Atoms294
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004154.04
LogP ≤ 577.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze tert-butylbenzene;1-tert-butyl-2-chlorobenzene;2-tert-butyl-5-chloropyridine;3-tert-butyl-2-chloropyridine;3-tert-butyl-5-chloropyridine;4-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;5-tert-butyl-2-chloropyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;3-tert-butyl-2-fluoropyridine;4-tert-butyl-2-fluoropyridine;4-tert-butyl-3-fluoropyridine;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);3-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;3-tert-butylpyridine;4-tert-butylpyridine with MolForge

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Related Compounds

4,4'-(4''-(tert-Butyl)-4-chloro-6'-phenyl-5'-(4-(trifluoromethyl)phenyl)-[1,1':2',1''-terphenyl]-3',4'-diyl)dipyridine
CID 86341907
Bis(4-chloro-2-(4-chloro-2-pyridinyl)pyridine);ruthenium(2+);bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide);dihydrate
CID 139238460
Tetrakis(4-chloro-2-(4-chloro-2-pyridinyl)pyridine);bis(chlororuthenium(1+));bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 139238461
2-(4,4'-Di-tert-butyl-2'-(5-chloro-3-fluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-fluoro-4-methylpyridine
CID 155908890
2,2'-(4,4'-Di-tert-butyl-[1,1'-biphenyl]-2,2'-diyl)bis(5-chloro-3-fluoropyridine)
CID 155908919
6,6',6'',6'''-([1,1':3',1'':3'',1'''-Quaterphenyl]-2,2',2'',2'''-tetrayl)tetrakis(3-fluoropyridine)
CID 155908938
Tris(2-[4-chloro-3-(trifluoromethyl)phenyl]pyridine);iridium(3+)
CID 22184121
2-[2,5-Difluoro-3,4,6-tris(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine
CID 58090489
2-(3-Tert-butyl-2-pyridinyl)-6-[4-[6-(3-tert-butyl-2-pyridinyl)-2-pyridinyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]pyridine
CID 59609410
3-[2-(4-Butylphenyl)-1,6-bis(6-chloro-2-fluoro-3-pyridinyl)-4-[2-(6-chloro-2-fluoro-3-pyridinyl)-1-(4-ethylphenyl)ethyl]-3-[2-(6-chloro-2-fluoro-3-pyridinyl)-1-(4-pentylphenyl)ethyl]-4-[4-(4-ethylphenyl)phenyl]-5-(4-propylphenyl)hexan-3-yl]-2,6-difluoropyridine
CID 88528353
2-[2,5-Difluoro-3-[6-(4-methyl-3,4-dihydropyridin-2-yl)-2-pyridinyl]-4,6-bis(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine
CID 88987458
2-(3-Ethylpyridin-2-yl)-6-[4-[6-(3-ethylpyridin-2-yl)pyridin-2-yl]-2,5-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine
CID 89005636

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;1-tert-butyl-2-chlorobenzene;2-tert-butyl-5-chloropyridine;3-tert-butyl-2-chloropyridine;3-tert-butyl-5-chloropyridine;4-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;5-tert-butyl-2-chloropyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;3-tert-butyl-2-fluoropyridine;4-tert-butyl-2-fluoropyridine;4-tert-butyl-3-fluoropyridine;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);3-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;3-tert-butylpyridine;4-tert-butylpyridine?
The IUPAC name of tert-butylbenzene;1-tert-butyl-2-chlorobenzene;2-tert-butyl-5-chloropyridine;3-tert-butyl-2-chloropyridine;3-tert-butyl-5-chloropyridine;4-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;5-tert-butyl-2-chloropyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;3-tert-butyl-2-fluoropyridine;4-tert-butyl-2-fluoropyridine;4-tert-butyl-3-fluoropyridine;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);3-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;3-tert-butylpyridine;4-tert-butylpyridine (CID 158878931) is tert-butylbenzene;1-tert-butyl-2-chlorobenzene;2-tert-butyl-5-chloropyridine;3-tert-butyl-2-chloropyridine;3-tert-butyl-5-chloropyridine;4-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;5-tert-butyl-2-chloropyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;3-tert-butyl-2-fluoropyridine;4-tert-butyl-2-fluoropyridine;4-tert-butyl-3-fluoropyridine;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);3-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;3-tert-butylpyridine;4-tert-butylpyridine.
What is the SMILES notation for tert-butylbenzene;1-tert-butyl-2-chlorobenzene;2-tert-butyl-5-chloropyridine;3-tert-butyl-2-chloropyridine;3-tert-butyl-5-chloropyridine;4-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;5-tert-butyl-2-chloropyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;3-tert-butyl-2-fluoropyridine;4-tert-butyl-2-fluoropyridine;4-tert-butyl-3-fluoropyridine;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);3-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;3-tert-butylpyridine;4-tert-butylpyridine?
The canonical SMILES for tert-butylbenzene;1-tert-butyl-2-chlorobenzene;2-tert-butyl-5-chloropyridine;3-tert-butyl-2-chloropyridine;3-tert-butyl-5-chloropyridine;4-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;5-tert-butyl-2-chloropyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;3-tert-butyl-2-fluoropyridine;4-tert-butyl-2-fluoropyridine;4-tert-butyl-3-fluoropyridine;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);3-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;3-tert-butylpyridine;4-tert-butylpyridine is CC(C)(C)c1ccc(Cl)cn1.CC(C)(C)c1ccc(Cl)nc1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc(F)cn1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1cccc(F)n1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1ccccc1F.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1Cl.CC(C)(C)c1cccnc1F.CC(C)(C)c1ccnc(Cl)c1.CC(C)(C)c1ccnc(F)c1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1Cl.CC(C)(C)c1ccncc1F.CC(C)(C)c1cncc(Cl)c1.Cc1cc(C(C)(C)C)ccn1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)n1.Cc1cccc(C(C)(C)C)n1.Cc1ccccc1C(C)(C)C.Cc1cnccc1C(C)(C)C.Cc1ncccc1C(C)(C)C.
What is the InChIKey of tert-butylbenzene;1-tert-butyl-2-chlorobenzene;2-tert-butyl-5-chloropyridine;3-tert-butyl-2-chloropyridine;3-tert-butyl-5-chloropyridine;4-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;5-tert-butyl-2-chloropyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;3-tert-butyl-2-fluoropyridine;4-tert-butyl-2-fluoropyridine;4-tert-butyl-3-fluoropyridine;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);3-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;3-tert-butylpyridine;4-tert-butylpyridine?
The InChIKey is JCUFWKSGAXAJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H16.C10H13Cl.3C10H13F.6C10H15N.C10H14.6C9H12ClN.5C9H12FN.2C9H13N/c1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-6-4-5-7-9(8)11;1-8-7-11-6-5-9(8)10(2,3)4;1-8-7-9(5-6-11-8)10(2,3)4;1-8-5-6-9(11-7-8)10(2,3)4;1-8-9(10(2,3)4)6-5-7-11-8;2*1-8-6-5-7-9(11-8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)7-4-8(10)6-11-5-7;1-9(2,3)7-4-5-11-6-8(7)10;1-9(2,3)7-4-5-11-8(10)6-7;1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)7-4-5-8(10)11-6-7;1-9(2,3)7-5-4-6-11-8(7)10;1-9(2,3)7-4-5-11-6-8(7)10;1-9(2,3)7-4-5-11-8(10)6-7;1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)7-5-4-6-11-8(7)10;1-9(2,3)7-5-4-6-8(10)11-7;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8/h3*5-8H,1-4H3;4*4-7H,1-3H3;6*5-7H,1-4H3;4-8H,1-3H3;11*4-6H,1-3H3;2*4-7H,1-3H3.
What are the key properties of tert-butylbenzene;1-tert-butyl-2-chlorobenzene;2-tert-butyl-5-chloropyridine;3-tert-butyl-2-chloropyridine;3-tert-butyl-5-chloropyridine;4-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;5-tert-butyl-2-chloropyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;3-tert-butyl-2-fluoropyridine;4-tert-butyl-2-fluoropyridine;4-tert-butyl-3-fluoropyridine;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);3-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;3-tert-butylpyridine;4-tert-butylpyridine?
tert-butylbenzene;1-tert-butyl-2-chlorobenzene;2-tert-butyl-5-chloropyridine;3-tert-butyl-2-chloropyridine;3-tert-butyl-5-chloropyridine;4-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;5-tert-butyl-2-chloropyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;3-tert-butyl-2-fluoropyridine;4-tert-butyl-2-fluoropyridine;4-tert-butyl-3-fluoropyridine;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);3-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;3-tert-butylpyridine;4-tert-butylpyridine has a molecular weight of 4154.04 g/mol, XLogP of 77.54, 0 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;1-tert-butyl-2-chlorobenzene;2-tert-butyl-5-chloropyridine;3-tert-butyl-2-chloropyridine;3-tert-butyl-5-chloropyridine;4-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;5-tert-butyl-2-chloropyridine;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;3-tert-butyl-2-fluoropyridine;4-tert-butyl-2-fluoropyridine;4-tert-butyl-3-fluoropyridine;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);3-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyridine;4-tert-butyl-3-methylpyridine;3-tert-butylpyridine;4-tert-butylpyridine is sourced from PubChem (CID 158878931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).