1,3-di(propan-2-yl)benzene;4,6-di(propan-2-yl)-1H-indole;1,3-di(propan-2-yl)isoquinoline;1,3-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)pyrazine;bis(3,5-di(propan-2-yl)pyridazine);2,4-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);2,4-di(propan-2-yl)quinoline;5,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thiophene

C158H227N15S — CID 160944265

IUPAC1,3-di(propan-2-yl)benzene;4,6-di(propan-2-yl)-1H-indole;1,3-di(propan-2-yl)isoquinoline;1,3-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)pyrazine;bis(3,5-di(propan-2-yl)pyridazine);2,4-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);2,4-di(propan-2-yl)quinoline;5,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thiophene
SMILESCC(C)c1cc(C(C)C)c2cc[nH]c2c1.CC(C)c1cc(C(C)C)c2ccccc2c1.CC(C)c1cc(C(C)C)c2ccccc2n1.CC(C)c1cc(C(C)C)c2cccnc2c1.CC(C)c1cc2ccccc2c(C(C)C)n1.CC(C)c1ccc(C(C)C)s1.CC(C)c1cccc(C(C)C)c1.CC(C)c1ccnc(C(C)C)c1.CC(C)c1ccnc(C(C)C)n1.CC(C)c1ccnc(C(C)C)n1.CC(C)c1cncc(C(C)C)n1.CC(C)c1cnnc(C(C)C)c1.CC(C)c1cnnc(C(C)C)c1
InChIInChI=1S/C16H20.3C15H19N.C14H19N.C12H18.C11H17N.5C10H16N2.C10H16S/c1-11(2)14-9-13-7-5-6-8-15(13)16(10-14)12(3)4;1-10(2)12-8-14(11(3)4)13-6-5-7-16-15(13)9-12;1-10(2)13-9-15(11(3)4)16-14-8-6-5-7-12(13)14;1-10(2)14-9-12-7-5-6-8-13(12)15(16-14)11(3)4;1-9(2)11-7-13(10(3)4)12-5-6-15-14(12)8-11;1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-6-12-11(7-10)9(3)4;1-7(2)9-5-11-6-10(12-9)8(3)4;2*1-7(2)9-5-10(8(3)4)12-11-6-9;2*1-7(2)9-5-6-11-10(12-9)8(3)4;1-7(2)9-5-6-10(11-9)8(3)4/h5-12H,1-4H3;3*5-11H,1-4H3;5-10,15H,1-4H3;5-10H,1-4H3;5-9H,1-4H3;5*5-8H,1-4H3;5-8H,1-4H3
InChIKeySUXFUQNNTONZNX-UHFFFAOYSA-N
MW2368.73 g/mol
LogP47.82
Rot. Bonds26

About 1,3-di(propan-2-yl)benzene;4,6-di(propan-2-yl)-1H-indole;1,3-di(propan-2-yl)isoquinoline;1,3-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)pyrazine;bis(3,5-di(propan-2-yl)pyridazine);2,4-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);2,4-di(propan-2-yl)quinoline;5,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thiophene

1,3-di(propan-2-yl)benzene;4,6-di(propan-2-yl)-1H-indole;1,3-di(propan-2-yl)isoquinoline;1,3-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)pyrazine;bis(3,5-di(propan-2-yl)pyridazine);2,4-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);2,4-di(propan-2-yl)quinoline;5,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thiophene (PubChem CID 160944265) has the molecular formula C158H227N15S and a molecular weight of 2368.73 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)benzene;4,6-di(propan-2-yl)-1H-indole;1,3-di(propan-2-yl)isoquinoline;1,3-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)pyrazine;bis(3,5-di(propan-2-yl)pyridazine);2,4-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);2,4-di(propan-2-yl)quinoline;5,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thiophene.

Molecular Properties

Compound Name1,3-di(propan-2-yl)benzene;4,6-di(propan-2-yl)-1H-indole;1,3-di(propan-2-yl)isoquinoline;1,3-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)pyrazine;bis(3,5-di(propan-2-yl)pyridazine);2,4-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);2,4-di(propan-2-yl)quinoline;5,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thiophene
PubChem CID160944265
Molecular FormulaC158H227N15S
Molecular Weight2368.73 g/mol
Exact Mass2366.79
IUPAC Name1,3-di(propan-2-yl)benzene;4,6-di(propan-2-yl)-1H-indole;1,3-di(propan-2-yl)isoquinoline;1,3-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)pyrazine;bis(3,5-di(propan-2-yl)pyridazine);2,4-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);2,4-di(propan-2-yl)quinoline;5,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thiophene
SMILESCC(C)c1cc(C(C)C)c2cc[nH]c2c1.CC(C)c1cc(C(C)C)c2ccccc2c1.CC(C)c1cc(C(C)C)c2ccccc2n1.CC(C)c1cc(C(C)C)c2cccnc2c1.CC(C)c1cc2ccccc2c(C(C)C)n1.CC(C)c1ccc(C(C)C)s1.CC(C)c1cccc(C(C)C)c1.CC(C)c1ccnc(C(C)C)c1.CC(C)c1ccnc(C(C)C)n1.CC(C)c1ccnc(C(C)C)n1.CC(C)c1cncc(C(C)C)n1.CC(C)c1cnnc(C(C)C)c1.CC(C)c1cnnc(C(C)C)c1
InChIInChI=1S/C16H20.3C15H19N.C14H19N.C12H18.C11H17N.5C10H16N2.C10H16S/c1-11(2)14-9-13-7-5-6-8-15(13)16(10-14)12(3)4;1-10(2)12-8-14(11(3)4)13-6-5-7-16-15(13)9-12;1-10(2)13-9-15(11(3)4)16-14-8-6-5-7-12(13)14;1-10(2)14-9-12-7-5-6-8-13(12)15(16-14)11(3)4;1-9(2)11-7-13(10(3)4)12-5-6-15-14(12)8-11;1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-6-12-11(7-10)9(3)4;1-7(2)9-5-11-6-10(12-9)8(3)4;2*1-7(2)9-5-10(8(3)4)12-11-6-9;2*1-7(2)9-5-6-11-10(12-9)8(3)4;1-7(2)9-5-6-10(11-9)8(3)4/h5-12H,1-4H3;3*5-11H,1-4H3;5-10,15H,1-4H3;5-10H,1-4H3;5-9H,1-4H3;5*5-8H,1-4H3;5-8H,1-4H3
InChIKeySUXFUQNNTONZNX-UHFFFAOYSA-N
XLogP47.82
TPSA196.25 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds26
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002368.73
LogP ≤ 547.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze 1,3-di(propan-2-yl)benzene;4,6-di(propan-2-yl)-1H-indole;1,3-di(propan-2-yl)isoquinoline;1,3-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)pyrazine;bis(3,5-di(propan-2-yl)pyridazine);2,4-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);2,4-di(propan-2-yl)quinoline;5,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thiophene with MolForge

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Related Compounds

2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;ethane;methane
CID 159524432
3,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine
CID 161232846
2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-indole;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;2-propan-2-ylquinoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline
CID 159294253
1,7-di(propan-2-yl)isoquinoline;3,5-di(propan-2-yl)isoquinoline;5,6-di(propan-2-yl)isoquinoline;1,2-di(propan-2-yl)naphthalene;1,3-di(propan-2-yl)naphthalene;2,3-di(propan-2-yl)pyrido[2,3-b]pyrazine;2,4-di(propan-2-yl)quinazoline;4,6-di(propan-2-yl)quinazoline;tris(2,3-di(propan-2-yl)quinoline);2,4-di(propan-2-yl)quinoline;3,4-di(propan-2-yl)quinoline;4,6-di(propan-2-yl)quinoline;5,6-di(propan-2-yl)quinoline;bis(2,3-di(propan-2-yl)quinoxaline);2,3-di(propan-2-yl)thieno[2,3-b]pyrazine
CID 161304105
2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;ethane
CID 159523313
2-tert-butyl-6-propan-2-ylpyrazine;3-tert-butyl-5-propan-2-ylpyridazine;5-tert-butyl-3-propan-2-ylpyridazine;2-tert-butyl-4-propan-2-ylpyridine;2-tert-butyl-6-propan-2-ylpyridine;3-tert-butyl-5-propan-2-ylpyridine;4-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;4-tert-butyl-2-propan-2-ylpyrimidine;4-tert-butyl-6-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-yl-1,3,5-triazine
CID 158122570
2-propan-2-ylquinoline;6-propan-2-ylquinoline
CID 67193731
cumene;2-propan-2-ylacridine;bis(2-propan-2-ylanthracene);2-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-ylquinazoline;2-propan-2-ylquinoxaline
CID 158546913
2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indene;2-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-yl-3H-indole;2-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylquinoline;bis(3-propan-2-ylquinoline);6-propan-2-ylquinoline;2-propan-2-ylthiophene
CID 158834837
2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine
CID 158889204
3,5-di(propan-2-yl)pyridazine
CID 21037378
methylphosphane;4-propan-2-ylisoquinoline;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;3-propan-2-ylquinoline
CID 162017886

Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)benzene;4,6-di(propan-2-yl)-1H-indole;1,3-di(propan-2-yl)isoquinoline;1,3-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)pyrazine;bis(3,5-di(propan-2-yl)pyridazine);2,4-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);2,4-di(propan-2-yl)quinoline;5,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thiophene?
The IUPAC name of 1,3-di(propan-2-yl)benzene;4,6-di(propan-2-yl)-1H-indole;1,3-di(propan-2-yl)isoquinoline;1,3-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)pyrazine;bis(3,5-di(propan-2-yl)pyridazine);2,4-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);2,4-di(propan-2-yl)quinoline;5,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thiophene (CID 160944265) is 1,3-di(propan-2-yl)benzene;4,6-di(propan-2-yl)-1H-indole;1,3-di(propan-2-yl)isoquinoline;1,3-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)pyrazine;bis(3,5-di(propan-2-yl)pyridazine);2,4-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);2,4-di(propan-2-yl)quinoline;5,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thiophene.
What is the SMILES notation for 1,3-di(propan-2-yl)benzene;4,6-di(propan-2-yl)-1H-indole;1,3-di(propan-2-yl)isoquinoline;1,3-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)pyrazine;bis(3,5-di(propan-2-yl)pyridazine);2,4-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);2,4-di(propan-2-yl)quinoline;5,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thiophene?
The canonical SMILES for 1,3-di(propan-2-yl)benzene;4,6-di(propan-2-yl)-1H-indole;1,3-di(propan-2-yl)isoquinoline;1,3-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)pyrazine;bis(3,5-di(propan-2-yl)pyridazine);2,4-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);2,4-di(propan-2-yl)quinoline;5,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thiophene is CC(C)c1cc(C(C)C)c2cc[nH]c2c1.CC(C)c1cc(C(C)C)c2ccccc2c1.CC(C)c1cc(C(C)C)c2ccccc2n1.CC(C)c1cc(C(C)C)c2cccnc2c1.CC(C)c1cc2ccccc2c(C(C)C)n1.CC(C)c1ccc(C(C)C)s1.CC(C)c1cccc(C(C)C)c1.CC(C)c1ccnc(C(C)C)c1.CC(C)c1ccnc(C(C)C)n1.CC(C)c1ccnc(C(C)C)n1.CC(C)c1cncc(C(C)C)n1.CC(C)c1cnnc(C(C)C)c1.CC(C)c1cnnc(C(C)C)c1.
What is the InChIKey of 1,3-di(propan-2-yl)benzene;4,6-di(propan-2-yl)-1H-indole;1,3-di(propan-2-yl)isoquinoline;1,3-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)pyrazine;bis(3,5-di(propan-2-yl)pyridazine);2,4-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);2,4-di(propan-2-yl)quinoline;5,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thiophene?
The InChIKey is SUXFUQNNTONZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20.3C15H19N.C14H19N.C12H18.C11H17N.5C10H16N2.C10H16S/c1-11(2)14-9-13-7-5-6-8-15(13)16(10-14)12(3)4;1-10(2)12-8-14(11(3)4)13-6-5-7-16-15(13)9-12;1-10(2)13-9-15(11(3)4)16-14-8-6-5-7-12(13)14;1-10(2)14-9-12-7-5-6-8-13(12)15(16-14)11(3)4;1-9(2)11-7-13(10(3)4)12-5-6-15-14(12)8-11;1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-6-12-11(7-10)9(3)4;1-7(2)9-5-11-6-10(12-9)8(3)4;2*1-7(2)9-5-10(8(3)4)12-11-6-9;2*1-7(2)9-5-6-11-10(12-9)8(3)4;1-7(2)9-5-6-10(11-9)8(3)4/h5-12H,1-4H3;3*5-11H,1-4H3;5-10,15H,1-4H3;5-10H,1-4H3;5-9H,1-4H3;5*5-8H,1-4H3;5-8H,1-4H3.
What are the key properties of 1,3-di(propan-2-yl)benzene;4,6-di(propan-2-yl)-1H-indole;1,3-di(propan-2-yl)isoquinoline;1,3-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)pyrazine;bis(3,5-di(propan-2-yl)pyridazine);2,4-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);2,4-di(propan-2-yl)quinoline;5,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thiophene?
1,3-di(propan-2-yl)benzene;4,6-di(propan-2-yl)-1H-indole;1,3-di(propan-2-yl)isoquinoline;1,3-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)pyrazine;bis(3,5-di(propan-2-yl)pyridazine);2,4-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);2,4-di(propan-2-yl)quinoline;5,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thiophene has a molecular weight of 2368.73 g/mol, XLogP of 47.82, 26 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)benzene;4,6-di(propan-2-yl)-1H-indole;1,3-di(propan-2-yl)isoquinoline;1,3-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)pyrazine;bis(3,5-di(propan-2-yl)pyridazine);2,4-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);2,4-di(propan-2-yl)quinoline;5,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thiophene is sourced from PubChem (CID 160944265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).