bis(2-chloro-1,4-di(propan-2-yl)benzene);bis(1,4-di(propan-2-yl)benzene);2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(3,6-di(propan-2-yl)-1,2,4-triazine);1,4-di(propan-2-yl)-2-(trifluoromethyl)benzene;bis(2-fluoro-1,4-di(propan-2-yl)benzene);2-methyl-1,4-di(propan-2-yl)benzene

C178H269Cl2F5N16 — CID 165012784

IUPACbis(2-chloro-1,4-di(propan-2-yl)benzene);bis(1,4-di(propan-2-yl)benzene);2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(3,6-di(propan-2-yl)-1,2,4-triazine);1,4-di(propan-2-yl)-2-(trifluoromethyl)benzene;bis(2-fluoro-1,4-di(propan-2-yl)benzene);2-methyl-1,4-di(propan-2-yl)benzene
SMILESCC(C)c1ccc(C(C)C)c(C(F)(F)F)c1.CC(C)c1ccc(C(C)C)c(Cl)c1.CC(C)c1ccc(C(C)C)c(Cl)c1.CC(C)c1ccc(C(C)C)c(F)c1.CC(C)c1ccc(C(C)C)c(F)c1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nn1.CC(C)c1cnc(C(C)C)cn1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1cnc(C(C)C)nn1.CC(C)c1cnc(C(C)C)nn1.Cc1cc(C(C)C)ccc1C(C)C
InChIInChI=1S/C13H17F3.C13H20.2C12H17Cl.2C12H17F.2C12H18.2C11H17N.4C10H16N2.2C9H15N3/c1-8(2)10-5-6-11(9(3)4)12(7-10)13(14,15)16;1-9(2)12-6-7-13(10(3)4)11(5)8-12;4*1-8(2)10-5-6-11(9(3)4)12(13)7-10;2*1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)9-5-12-10(6-11-9)8(3)4;2*1-7(2)9-5-11-10(8(3)4)12-6-9;1-7(2)9-5-6-10(8(3)4)12-11-9;2*1-6(2)8-5-10-9(7(3)4)12-11-8/h5-9H,1-4H3;6-10H,1-5H3;4*5-9H,1-4H3;2*5-10H,1-4H3;2*5-9H,1-4H3;4*5-8H,1-4H3;2*5-7H,1-4H3
InChIKeyJYJACLHVVQGRJA-UHFFFAOYSA-N
MW2799.12 g/mol
LogP56.17
Rot. Bonds32

About bis(2-chloro-1,4-di(propan-2-yl)benzene);bis(1,4-di(propan-2-yl)benzene);2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(3,6-di(propan-2-yl)-1,2,4-triazine);1,4-di(propan-2-yl)-2-(trifluoromethyl)benzene;bis(2-fluoro-1,4-di(propan-2-yl)benzene);2-methyl-1,4-di(propan-2-yl)benzene

bis(2-chloro-1,4-di(propan-2-yl)benzene);bis(1,4-di(propan-2-yl)benzene);2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(3,6-di(propan-2-yl)-1,2,4-triazine);1,4-di(propan-2-yl)-2-(trifluoromethyl)benzene;bis(2-fluoro-1,4-di(propan-2-yl)benzene);2-methyl-1,4-di(propan-2-yl)benzene (PubChem CID 165012784) has the molecular formula C178H269Cl2F5N16 and a molecular weight of 2799.12 g/mol. Its IUPAC name is bis(2-chloro-1,4-di(propan-2-yl)benzene);bis(1,4-di(propan-2-yl)benzene);2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(3,6-di(propan-2-yl)-1,2,4-triazine);1,4-di(propan-2-yl)-2-(trifluoromethyl)benzene;bis(2-fluoro-1,4-di(propan-2-yl)benzene);2-methyl-1,4-di(propan-2-yl)benzene.

Molecular Properties

Compound Namebis(2-chloro-1,4-di(propan-2-yl)benzene);bis(1,4-di(propan-2-yl)benzene);2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(3,6-di(propan-2-yl)-1,2,4-triazine);1,4-di(propan-2-yl)-2-(trifluoromethyl)benzene;bis(2-fluoro-1,4-di(propan-2-yl)benzene);2-methyl-1,4-di(propan-2-yl)benzene
PubChem CID165012784
Molecular FormulaC178H269Cl2F5N16
Molecular Weight2799.12 g/mol
Exact Mass2796.08
IUPAC Namebis(2-chloro-1,4-di(propan-2-yl)benzene);bis(1,4-di(propan-2-yl)benzene);2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(3,6-di(propan-2-yl)-1,2,4-triazine);1,4-di(propan-2-yl)-2-(trifluoromethyl)benzene;bis(2-fluoro-1,4-di(propan-2-yl)benzene);2-methyl-1,4-di(propan-2-yl)benzene
SMILESCC(C)c1ccc(C(C)C)c(C(F)(F)F)c1.CC(C)c1ccc(C(C)C)c(Cl)c1.CC(C)c1ccc(C(C)C)c(Cl)c1.CC(C)c1ccc(C(C)C)c(F)c1.CC(C)c1ccc(C(C)C)c(F)c1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nn1.CC(C)c1cnc(C(C)C)cn1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1cnc(C(C)C)nn1.CC(C)c1cnc(C(C)C)nn1.Cc1cc(C(C)C)ccc1C(C)C
InChIInChI=1S/C13H17F3.C13H20.2C12H17Cl.2C12H17F.2C12H18.2C11H17N.4C10H16N2.2C9H15N3/c1-8(2)10-5-6-11(9(3)4)12(7-10)13(14,15)16;1-9(2)12-6-7-13(10(3)4)11(5)8-12;4*1-8(2)10-5-6-11(9(3)4)12(13)7-10;2*1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)9-5-12-10(6-11-9)8(3)4;2*1-7(2)9-5-11-10(8(3)4)12-6-9;1-7(2)9-5-6-10(8(3)4)12-11-9;2*1-6(2)8-5-10-9(7(3)4)12-11-8/h5-9H,1-4H3;6-10H,1-5H3;4*5-9H,1-4H3;2*5-10H,1-4H3;2*5-9H,1-4H3;4*5-8H,1-4H3;2*5-7H,1-4H3
InChIKeyJYJACLHVVQGRJA-UHFFFAOYSA-N
XLogP56.17
TPSA206.24 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds32
Heavy Atoms201
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002799.12
LogP ≤ 556.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze bis(2-chloro-1,4-di(propan-2-yl)benzene);bis(1,4-di(propan-2-yl)benzene);2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(3,6-di(propan-2-yl)-1,2,4-triazine);1,4-di(propan-2-yl)-2-(trifluoromethyl)benzene;bis(2-fluoro-1,4-di(propan-2-yl)benzene);2-methyl-1,4-di(propan-2-yl)benzene with MolForge

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Related Compounds

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
7-[2-(5-Chloro-2-fluorophenyl)-5-[5-fluoro-2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 139495106
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
N-(4-chlorophenyl)-6-[4-[5-[4-[4-(4-fluorophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]phenyl]pyrimidin-2-yl]piperazin-1-yl]-3-[3-[2-[4-(5-morpholin-4-yl-6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidin-5-yl]phenyl]pyridazin-4-amine
CID 143573055
7-[5-[5-Chloro-2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-2-(3,4,5-trifluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 155371082
4,9,10,11,12,16,21,22,23,24-Decakis-phenyl-3,5,15,17-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;9,10,11,12,21,22,23,24-octapyridin-2-yl-4,16-bis[4-(trifluoromethyl)phenyl]-3,5,15,17-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;9,10,11,12,21,22,23,24-octapyridin-2-yl-3,5,15,17-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;9,10,11,12-tetraphenyl-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
CID 157112003
2-(3-Chlorophenyl)-5-(2-methylpropyl)pyridine;1-(1,1-difluoro-2-methylpropyl)-4-(4-ethylphenyl)benzene;1-(1,1-difluoro-2-methylpropyl)-4-phenylbenzene;1-(1,1-difluoro-2-methylpropyl)-4-propylbenzene;1-ethyl-4-(2-methylpropyl)benzene;5-fluoro-2-(2-methylpropyl)pyridine;3-fluoro-1-oxido-5-phenyl-2-propan-2-ylpyridin-1-ium;4-fluoro-1-oxido-5-phenyl-2-propan-2-ylpyridin-1-ium;5-(4-fluorophenyl)-2-(2-methylpropyl)pyridine;2-(2-methylpropyl)-5-phenylpyridine;1-oxido-5-phenyl-2-propan-2-ylpyridin-1-ium;1-oxido-2-propan-2-yl-5-propylpyridin-1-ium;5-phenyl-2-propan-2-ylpyrimidine;1,1,7,7-tetrafluoro-8-methylnonane
CID 157128991
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
2-Chloro-4,6-di(propan-2-yl)-1,3,5-triazine;3,5-difluoro-2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)-1,2,4-triazine;2,6-di(propan-2-yl)-4-(trifluoromethyl)pyridine;3-fluoro-2,6-di(propan-2-yl)pyridine;4-fluoro-2,6-di(propan-2-yl)pyridine;5-fluoro-2,6-di(propan-2-yl)pyridine-3-carbonitrile;5-fluoro-2,4-di(propan-2-yl)pyrimidine;3-fluoro-2,6-di(propan-2-yl)-5-(trifluoromethyl)pyridine;3-fluoro-5-isocyano-2,6-di(propan-2-yl)pyridine;5-isocyano-2,4-di(propan-2-yl)pyrimidine
CID 157624104
6-benzyl-4-chloro-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;7-benzyl-4-chloro-2-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;4-chloro-2-[2-chloro-5-(trifluoromethyl)phenyl]quinazoline;4-chloro-6-(2-fluorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-2-[4-fluoro-2-(trifluoromethyl)phenyl]quinazoline;4-chloro-6-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine
CID 157698121
2-Chloro-4,6-di(propan-2-yl)-1,3,5-triazine;3,5-difluoro-2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)-1,2,4-triazine;2,6-di(propan-2-yl)-4-(trifluoromethyl)pyridine;3-fluoro-2,6-di(propan-2-yl)pyridine;4-fluoro-2,6-di(propan-2-yl)pyridine;5-fluoro-2,4-di(propan-2-yl)pyrimidine;3-fluoro-5-isocyano-2,6-di(propan-2-yl)pyridine;bis(3-fluoro-5-methyl-2,6-di(propan-2-yl)pyridine);5-isocyano-2,4-di(propan-2-yl)pyrimidine
CID 157792839

Frequently Asked Questions

What is the IUPAC name of bis(2-chloro-1,4-di(propan-2-yl)benzene);bis(1,4-di(propan-2-yl)benzene);2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(3,6-di(propan-2-yl)-1,2,4-triazine);1,4-di(propan-2-yl)-2-(trifluoromethyl)benzene;bis(2-fluoro-1,4-di(propan-2-yl)benzene);2-methyl-1,4-di(propan-2-yl)benzene?
The IUPAC name of bis(2-chloro-1,4-di(propan-2-yl)benzene);bis(1,4-di(propan-2-yl)benzene);2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(3,6-di(propan-2-yl)-1,2,4-triazine);1,4-di(propan-2-yl)-2-(trifluoromethyl)benzene;bis(2-fluoro-1,4-di(propan-2-yl)benzene);2-methyl-1,4-di(propan-2-yl)benzene (CID 165012784) is bis(2-chloro-1,4-di(propan-2-yl)benzene);bis(1,4-di(propan-2-yl)benzene);2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(3,6-di(propan-2-yl)-1,2,4-triazine);1,4-di(propan-2-yl)-2-(trifluoromethyl)benzene;bis(2-fluoro-1,4-di(propan-2-yl)benzene);2-methyl-1,4-di(propan-2-yl)benzene.
What is the SMILES notation for bis(2-chloro-1,4-di(propan-2-yl)benzene);bis(1,4-di(propan-2-yl)benzene);2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(3,6-di(propan-2-yl)-1,2,4-triazine);1,4-di(propan-2-yl)-2-(trifluoromethyl)benzene;bis(2-fluoro-1,4-di(propan-2-yl)benzene);2-methyl-1,4-di(propan-2-yl)benzene?
The canonical SMILES for bis(2-chloro-1,4-di(propan-2-yl)benzene);bis(1,4-di(propan-2-yl)benzene);2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(3,6-di(propan-2-yl)-1,2,4-triazine);1,4-di(propan-2-yl)-2-(trifluoromethyl)benzene;bis(2-fluoro-1,4-di(propan-2-yl)benzene);2-methyl-1,4-di(propan-2-yl)benzene is CC(C)c1ccc(C(C)C)c(C(F)(F)F)c1.CC(C)c1ccc(C(C)C)c(Cl)c1.CC(C)c1ccc(C(C)C)c(Cl)c1.CC(C)c1ccc(C(C)C)c(F)c1.CC(C)c1ccc(C(C)C)c(F)c1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nn1.CC(C)c1cnc(C(C)C)cn1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1cnc(C(C)C)nn1.CC(C)c1cnc(C(C)C)nn1.Cc1cc(C(C)C)ccc1C(C)C.
What is the InChIKey of bis(2-chloro-1,4-di(propan-2-yl)benzene);bis(1,4-di(propan-2-yl)benzene);2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(3,6-di(propan-2-yl)-1,2,4-triazine);1,4-di(propan-2-yl)-2-(trifluoromethyl)benzene;bis(2-fluoro-1,4-di(propan-2-yl)benzene);2-methyl-1,4-di(propan-2-yl)benzene?
The InChIKey is JYJACLHVVQGRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3.C13H20.2C12H17Cl.2C12H17F.2C12H18.2C11H17N.4C10H16N2.2C9H15N3/c1-8(2)10-5-6-11(9(3)4)12(7-10)13(14,15)16;1-9(2)12-6-7-13(10(3)4)11(5)8-12;4*1-8(2)10-5-6-11(9(3)4)12(13)7-10;2*1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)9-5-12-10(6-11-9)8(3)4;2*1-7(2)9-5-11-10(8(3)4)12-6-9;1-7(2)9-5-6-10(8(3)4)12-11-9;2*1-6(2)8-5-10-9(7(3)4)12-11-8/h5-9H,1-4H3;6-10H,1-5H3;4*5-9H,1-4H3;2*5-10H,1-4H3;2*5-9H,1-4H3;4*5-8H,1-4H3;2*5-7H,1-4H3.
What are the key properties of bis(2-chloro-1,4-di(propan-2-yl)benzene);bis(1,4-di(propan-2-yl)benzene);2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(3,6-di(propan-2-yl)-1,2,4-triazine);1,4-di(propan-2-yl)-2-(trifluoromethyl)benzene;bis(2-fluoro-1,4-di(propan-2-yl)benzene);2-methyl-1,4-di(propan-2-yl)benzene?
bis(2-chloro-1,4-di(propan-2-yl)benzene);bis(1,4-di(propan-2-yl)benzene);2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(3,6-di(propan-2-yl)-1,2,4-triazine);1,4-di(propan-2-yl)-2-(trifluoromethyl)benzene;bis(2-fluoro-1,4-di(propan-2-yl)benzene);2-methyl-1,4-di(propan-2-yl)benzene has a molecular weight of 2799.12 g/mol, XLogP of 56.17, 32 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-chloro-1,4-di(propan-2-yl)benzene);bis(1,4-di(propan-2-yl)benzene);2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(3,6-di(propan-2-yl)-1,2,4-triazine);1,4-di(propan-2-yl)-2-(trifluoromethyl)benzene;bis(2-fluoro-1,4-di(propan-2-yl)benzene);2-methyl-1,4-di(propan-2-yl)benzene is sourced from PubChem (CID 165012784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).