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

C265H377Cl3F7N25 — CID 159524415

IUPACtert-butylbenzene;1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;1-tert-butyl-2-fluorobenzene;2-tert-butyl-5-fluoropyridine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-5-fluoropyridine;4-tert-butyl-3-fluoropyridine;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-fluoropyrimidine;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;bis(4-tert-butyl-2-methylpyridine);4-tert-butyl-3-methylpyridine;3-tert-butylpyridazine;4-tert-butylpyridazine;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);4-tert-butylpyridine
SMILESCC(C)(C)c1ccc(F)cn1.CC(C)(C)c1ccc(F)nc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1ccccc1F.CC(C)(C)c1ccccn1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1Cl.CC(C)(C)c1cccnc1F.CC(C)(C)c1cccnn1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1Cl.CC(C)(C)c1ccncc1F.CC(C)(C)c1ccnnc1.CC(C)(C)c1cnc(F)nc1.CC(C)(C)c1cncc(F)c1.Cc1cc(C(C)(C)C)ccn1.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.C10H13F.7C10H15N.C10H14.2C9H12ClN.5C9H12FN.5C9H13N.C8H11FN2.2C8H12N2/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;2*1-10(2,3)8-6-4-5-7-9(8)11;1-8-7-11-6-5-9(8)10(2,3)4;2*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)7-4-5-11-6-8(7)10;1-9(2,3)7-5-4-6-11-8(7)10;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)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)8-4-6-10-7-5-8;2*1-9(2,3)8-5-4-6-10-7-8;2*1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)6-4-10-7(9)11-5-6;1-8(2,3)7-4-5-9-10-6-7;1-8(2,3)7-5-4-6-9-10-7/h3*5-8H,1-4H3;2*4-7H,1-3H3;7*5-7H,1-4H3;4-8H,1-3H3;7*4-6H,1-3H3;5*4-7H,1-3H3;4-5H,1-3H3;2*4-6H,1-3H3
InChIKeyMCFBSNAOQCEMCR-UHFFFAOYSA-N
MW4152.45 g/mol
LogP74.45
Rot. Bonds

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

tert-butylbenzene;1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;1-tert-butyl-2-fluorobenzene;2-tert-butyl-5-fluoropyridine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-5-fluoropyridine;4-tert-butyl-3-fluoropyridine;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-fluoropyrimidine;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;bis(4-tert-butyl-2-methylpyridine);4-tert-butyl-3-methylpyridine;3-tert-butylpyridazine;4-tert-butylpyridazine;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);4-tert-butylpyridine (PubChem CID 159524415) has the molecular formula C265H377Cl3F7N25 and a molecular weight of 4152.45 g/mol. Its IUPAC name is tert-butylbenzene;1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;1-tert-butyl-2-fluorobenzene;2-tert-butyl-5-fluoropyridine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-5-fluoropyridine;4-tert-butyl-3-fluoropyridine;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-fluoropyrimidine;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;bis(4-tert-butyl-2-methylpyridine);4-tert-butyl-3-methylpyridine;3-tert-butylpyridazine;4-tert-butylpyridazine;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);4-tert-butylpyridine.

Molecular Properties

Compound Nametert-butylbenzene;1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;1-tert-butyl-2-fluorobenzene;2-tert-butyl-5-fluoropyridine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-5-fluoropyridine;4-tert-butyl-3-fluoropyridine;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-fluoropyrimidine;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;bis(4-tert-butyl-2-methylpyridine);4-tert-butyl-3-methylpyridine;3-tert-butylpyridazine;4-tert-butylpyridazine;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);4-tert-butylpyridine
PubChem CID159524415
Molecular FormulaC265H377Cl3F7N25
Molecular Weight4152.45 g/mol
Exact Mass4147.92
IUPAC Nametert-butylbenzene;1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;1-tert-butyl-2-fluorobenzene;2-tert-butyl-5-fluoropyridine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-5-fluoropyridine;4-tert-butyl-3-fluoropyridine;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-fluoropyrimidine;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;bis(4-tert-butyl-2-methylpyridine);4-tert-butyl-3-methylpyridine;3-tert-butylpyridazine;4-tert-butylpyridazine;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);4-tert-butylpyridine
SMILESCC(C)(C)c1ccc(F)cn1.CC(C)(C)c1ccc(F)nc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1ccccc1F.CC(C)(C)c1ccccn1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1Cl.CC(C)(C)c1cccnc1F.CC(C)(C)c1cccnn1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1Cl.CC(C)(C)c1ccncc1F.CC(C)(C)c1ccnnc1.CC(C)(C)c1cnc(F)nc1.CC(C)(C)c1cncc(F)c1.Cc1cc(C(C)(C)C)ccn1.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.C10H13F.7C10H15N.C10H14.2C9H12ClN.5C9H12FN.5C9H13N.C8H11FN2.2C8H12N2/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;2*1-10(2,3)8-6-4-5-7-9(8)11;1-8-7-11-6-5-9(8)10(2,3)4;2*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)7-4-5-11-6-8(7)10;1-9(2,3)7-5-4-6-11-8(7)10;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)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)8-4-6-10-7-5-8;2*1-9(2,3)8-5-4-6-10-7-8;2*1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)6-4-10-7(9)11-5-6;1-8(2,3)7-4-5-9-10-6-7;1-8(2,3)7-5-4-6-9-10-7/h3*5-8H,1-4H3;2*4-7H,1-3H3;7*5-7H,1-4H3;4-8H,1-3H3;7*4-6H,1-3H3;5*4-7H,1-3H3;4-5H,1-3H3;2*4-6H,1-3H3
InChIKeyMCFBSNAOQCEMCR-UHFFFAOYSA-N
XLogP74.45
TPSA322.25 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds
Heavy Atoms300
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004152.45
LogP ≤ 574.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

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

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Launch Full Analysis

Related Compounds

1-[3-Chloro-4-(2,4-difluorophenyl)-2-methylphenyl]-2-[3-chloro-4-(2,4-difluorophenyl)phenyl]-1,2-bis(1-pyrimidin-2-ylpiperidin-4-yl)hydrazine
CID 91272269
2-[6-[4-[2-[3,5-Bis[2-[4-[5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyridin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridin-3-yl]-4-methyl-6-(trifluoromethyl)pyrimidine
CID 134191452
2-[6-[4-[2-[3,5-Bis[2-[4-[5-(4,6-difluoropyrimidin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-difluoropyrimidine
CID 134191453
5-[2-[3,5-Bis[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]-4-tert-butylphenyl]-2-[4-[2-[3,5-bis[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]-4-tert-butylphenyl]phenyl]pyrimidine
CID 134434241
4,6-Bis[4-[2-[3,5-bis[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]-4-tert-butylphenyl]phenyl]pyrimidine
CID 138743792
2-[6-[4-[2-[3-[2-[4-[5-[3,6-dimethyl-4-(trifluoromethyl)-4H-pyrimidin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4-methyl-6-(trifluoromethyl)pyrimidine
CID 139352280
N-(4-chlorophenyl)-6-[4-[4-[4-[4-(4-fluorophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]phenyl]pyrimidin-2-yl]piperazin-1-yl]-3-phenylpyridazin-4-amine
CID 143226004
N-(4-chlorophenyl)-6-[4-[5-[3-[4-(4-fluorophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]phenyl]pyrimidin-2-yl]piperazin-1-yl]-3-phenylpyridazin-4-amine
CID 143226018
5-[2-[3,5-Bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 146379883
5-[2-[3,5-bis[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]-4-tert-butylphenyl]-2-[4-[4-tert-butyl-2-[3-[4-tert-butyl-2-[4-[5-[(2Z,4E)-4-fluorohepta-2,4,6-trienyl]-4-methyl-2-pyridinyl]phenyl]phenyl]-5-[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyrimidine
CID 146649208
2-[4-[2,6-Bis[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 153434677
1-Chloro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene;1-cyclohexyl-4-propan-2-ylbenzene;1-methyl-3-(4-propan-2-ylphenyl)benzene;2-methyl-4-(4-propan-2-ylphenyl)pyridine;1-(4-propan-2-ylphenyl)piperidine;3-(4-propan-2-ylphenyl)pyridine;4-(4-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine
CID 157286026

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;1-tert-butyl-2-fluorobenzene;2-tert-butyl-5-fluoropyridine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-5-fluoropyridine;4-tert-butyl-3-fluoropyridine;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-fluoropyrimidine;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;bis(4-tert-butyl-2-methylpyridine);4-tert-butyl-3-methylpyridine;3-tert-butylpyridazine;4-tert-butylpyridazine;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);4-tert-butylpyridine?
The IUPAC name of tert-butylbenzene;1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;1-tert-butyl-2-fluorobenzene;2-tert-butyl-5-fluoropyridine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-5-fluoropyridine;4-tert-butyl-3-fluoropyridine;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-fluoropyrimidine;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;bis(4-tert-butyl-2-methylpyridine);4-tert-butyl-3-methylpyridine;3-tert-butylpyridazine;4-tert-butylpyridazine;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);4-tert-butylpyridine (CID 159524415) is tert-butylbenzene;1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;1-tert-butyl-2-fluorobenzene;2-tert-butyl-5-fluoropyridine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-5-fluoropyridine;4-tert-butyl-3-fluoropyridine;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-fluoropyrimidine;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;bis(4-tert-butyl-2-methylpyridine);4-tert-butyl-3-methylpyridine;3-tert-butylpyridazine;4-tert-butylpyridazine;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);4-tert-butylpyridine.
What is the SMILES notation for tert-butylbenzene;1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;1-tert-butyl-2-fluorobenzene;2-tert-butyl-5-fluoropyridine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-5-fluoropyridine;4-tert-butyl-3-fluoropyridine;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-fluoropyrimidine;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;bis(4-tert-butyl-2-methylpyridine);4-tert-butyl-3-methylpyridine;3-tert-butylpyridazine;4-tert-butylpyridazine;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);4-tert-butylpyridine?
The canonical SMILES for tert-butylbenzene;1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;1-tert-butyl-2-fluorobenzene;2-tert-butyl-5-fluoropyridine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-5-fluoropyridine;4-tert-butyl-3-fluoropyridine;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-fluoropyrimidine;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;bis(4-tert-butyl-2-methylpyridine);4-tert-butyl-3-methylpyridine;3-tert-butylpyridazine;4-tert-butylpyridazine;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);4-tert-butylpyridine is CC(C)(C)c1ccc(F)cn1.CC(C)(C)c1ccc(F)nc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1ccccc1F.CC(C)(C)c1ccccn1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1Cl.CC(C)(C)c1cccnc1F.CC(C)(C)c1cccnn1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1Cl.CC(C)(C)c1ccncc1F.CC(C)(C)c1ccnnc1.CC(C)(C)c1cnc(F)nc1.CC(C)(C)c1cncc(F)c1.Cc1cc(C(C)(C)C)ccn1.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;3-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;1-tert-butyl-2-fluorobenzene;2-tert-butyl-5-fluoropyridine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-5-fluoropyridine;4-tert-butyl-3-fluoropyridine;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-fluoropyrimidine;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;bis(4-tert-butyl-2-methylpyridine);4-tert-butyl-3-methylpyridine;3-tert-butylpyridazine;4-tert-butylpyridazine;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);4-tert-butylpyridine?
The InChIKey is MCFBSNAOQCEMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H16.C10H13Cl.C10H13F.7C10H15N.C10H14.2C9H12ClN.5C9H12FN.5C9H13N.C8H11FN2.2C8H12N2/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;2*1-10(2,3)8-6-4-5-7-9(8)11;1-8-7-11-6-5-9(8)10(2,3)4;2*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)7-4-5-11-6-8(7)10;1-9(2,3)7-5-4-6-11-8(7)10;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)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)8-4-6-10-7-5-8;2*1-9(2,3)8-5-4-6-10-7-8;2*1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)6-4-10-7(9)11-5-6;1-8(2,3)7-4-5-9-10-6-7;1-8(2,3)7-5-4-6-9-10-7/h3*5-8H,1-4H3;2*4-7H,1-3H3;7*5-7H,1-4H3;4-8H,1-3H3;7*4-6H,1-3H3;5*4-7H,1-3H3;4-5H,1-3H3;2*4-6H,1-3H3.
What are the key properties of tert-butylbenzene;1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;1-tert-butyl-2-fluorobenzene;2-tert-butyl-5-fluoropyridine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-5-fluoropyridine;4-tert-butyl-3-fluoropyridine;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-fluoropyrimidine;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;bis(4-tert-butyl-2-methylpyridine);4-tert-butyl-3-methylpyridine;3-tert-butylpyridazine;4-tert-butylpyridazine;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);4-tert-butylpyridine?
tert-butylbenzene;1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;1-tert-butyl-2-fluorobenzene;2-tert-butyl-5-fluoropyridine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-5-fluoropyridine;4-tert-butyl-3-fluoropyridine;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-fluoropyrimidine;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;bis(4-tert-butyl-2-methylpyridine);4-tert-butyl-3-methylpyridine;3-tert-butylpyridazine;4-tert-butylpyridazine;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);4-tert-butylpyridine has a molecular weight of 4152.45 g/mol, XLogP of 74.45, 0 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloropyridine;4-tert-butyl-3-chloropyridine;1-tert-butyl-2-fluorobenzene;2-tert-butyl-5-fluoropyridine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-5-fluoropyridine;4-tert-butyl-3-fluoropyridine;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-fluoropyrimidine;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;bis(4-tert-butyl-2-methylpyridine);4-tert-butyl-3-methylpyridine;3-tert-butylpyridazine;4-tert-butylpyridazine;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);4-tert-butylpyridine is sourced from PubChem (CID 159524415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).