1,2-di(propan-2-yl)benzene;3,4-di(propan-2-yl)pyridazine;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(4,5-di(propan-2-yl)pyrimidine)

C86H134N10 — CID 159280113

IUPAC1,2-di(propan-2-yl)benzene;3,4-di(propan-2-yl)pyridazine;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(4,5-di(propan-2-yl)pyrimidine)
SMILESCC(C)c1ccccc1C(C)C.CC(C)c1cccnc1C(C)C.CC(C)c1cccnc1C(C)C.CC(C)c1ccncc1C(C)C.CC(C)c1ccncc1C(C)C.CC(C)c1ccnnc1C(C)C.CC(C)c1cncnc1C(C)C.CC(C)c1cncnc1C(C)C
InChIInChI=1S/C12H18.4C11H17N.3C10H16N2/c1-9(2)11-7-5-6-8-12(11)10(3)4;2*1-8(2)10-5-6-12-7-11(10)9(3)4;2*1-8(2)10-6-5-7-12-11(10)9(3)4;2*1-7(2)9-5-11-6-12-10(9)8(3)4;1-7(2)9-5-6-11-12-10(9)8(3)4/h5-10H,1-4H3;4*5-9H,1-4H3;3*5-8H,1-4H3
InChIKeyKYUONQAWXCINFY-UHFFFAOYSA-N
MW1308.09 g/mol
LogP25.42
Rot. Bonds16

About 1,2-di(propan-2-yl)benzene;3,4-di(propan-2-yl)pyridazine;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(4,5-di(propan-2-yl)pyrimidine)

1,2-di(propan-2-yl)benzene;3,4-di(propan-2-yl)pyridazine;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(4,5-di(propan-2-yl)pyrimidine) (PubChem CID 159280113) has the molecular formula C86H134N10 and a molecular weight of 1308.09 g/mol. Its IUPAC name is 1,2-di(propan-2-yl)benzene;3,4-di(propan-2-yl)pyridazine;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(4,5-di(propan-2-yl)pyrimidine).

Molecular Properties

Compound Name1,2-di(propan-2-yl)benzene;3,4-di(propan-2-yl)pyridazine;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(4,5-di(propan-2-yl)pyrimidine)
PubChem CID159280113
Molecular FormulaC86H134N10
Molecular Weight1308.09 g/mol
Exact Mass1307.08
IUPAC Name1,2-di(propan-2-yl)benzene;3,4-di(propan-2-yl)pyridazine;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(4,5-di(propan-2-yl)pyrimidine)
SMILESCC(C)c1ccccc1C(C)C.CC(C)c1cccnc1C(C)C.CC(C)c1cccnc1C(C)C.CC(C)c1ccncc1C(C)C.CC(C)c1ccncc1C(C)C.CC(C)c1ccnnc1C(C)C.CC(C)c1cncnc1C(C)C.CC(C)c1cncnc1C(C)C
InChIInChI=1S/C12H18.4C11H17N.3C10H16N2/c1-9(2)11-7-5-6-8-12(11)10(3)4;2*1-8(2)10-5-6-12-7-11(10)9(3)4;2*1-8(2)10-6-5-7-12-11(10)9(3)4;2*1-7(2)9-5-11-6-12-10(9)8(3)4;1-7(2)9-5-6-11-12-10(9)8(3)4/h5-10H,1-4H3;4*5-9H,1-4H3;3*5-8H,1-4H3
InChIKeyKYUONQAWXCINFY-UHFFFAOYSA-N
XLogP25.42
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001308.09
LogP ≤ 525.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1,2-di(propan-2-yl)benzene;3,4-di(propan-2-yl)pyridazine;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(4,5-di(propan-2-yl)pyrimidine) with MolForge

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Related Compounds

1,2-di(propan-2-yl)benzene;3,4-di(propan-2-yl)pyridazine;4,5-di(propan-2-yl)pyridazine;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(4,5-di(propan-2-yl)pyrimidine)
CID 162214419
1,2-di(propan-2-yl)benzene;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine
CID 161335876
1,2-di(propan-2-yl)benzene;1,6-di(propan-2-yl)-2H-pyridine;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine
CID 157149020
ethane;3-methyl-2-propan-2-ylpyridine;bis(4-methyl-3-propan-2-ylpyridine)
CID 167681934
1,3-di(propan-2-yl)piperazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;methane
CID 157218723
ethane;methane;3-methyl-2-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine
CID 159258113
3,5-di(propan-2-yl)-1,2-dihydroimidazole;1,4-di(propan-2-yl)imidazole;2,3-di(propan-2-yl)pyrazine;3,4-di(propan-2-yl)pyridazine;4,5-di(propan-2-yl)pyridazine;2,3-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;bis(3,4-di(propan-2-yl)pyridine);3,5-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,4-di(propan-2-yl)triazole;methane
CID 157417799
2,3-di(propan-2-yl)pyridine;ethanol
CID 159072457
carbanide;4-propan-2-ylcinnoline;5-propan-2-ylcinnoline;4-propan-2-yl-1,5-naphthyridine;4-propan-2-yl-1,6-naphthyridine;4-propan-2-yl-1,7-naphthyridine;4-propan-2-yl-1,8-naphthyridine;4-propan-2-yl-2,6-naphthyridine;4-propan-2-yl-2,7-naphthyridine;5-propan-2-yl-1,7-naphthyridine;8-propan-2-yl-1,6-naphthyridine;1-propan-2-ylphthalazine;5-propan-2-ylquinazoline;8-propan-2-ylquinazoline;5-propan-2-ylquinoxaline;tetradecakis(yttrium)
CID 161159359
5-butan-2-yl-4-propan-2-ylpyrimidine
CID 126657195
cinnoline;ethane;isoquinoline;naphthalene;quinazoline;quinoline;quinoxaline
CID 158080804
4-propan-2-ylpyridazin-3-amine
CID 55278267

Frequently Asked Questions

What is the IUPAC name of 1,2-di(propan-2-yl)benzene;3,4-di(propan-2-yl)pyridazine;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(4,5-di(propan-2-yl)pyrimidine)?
The IUPAC name of 1,2-di(propan-2-yl)benzene;3,4-di(propan-2-yl)pyridazine;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(4,5-di(propan-2-yl)pyrimidine) (CID 159280113) is 1,2-di(propan-2-yl)benzene;3,4-di(propan-2-yl)pyridazine;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(4,5-di(propan-2-yl)pyrimidine).
What is the SMILES notation for 1,2-di(propan-2-yl)benzene;3,4-di(propan-2-yl)pyridazine;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(4,5-di(propan-2-yl)pyrimidine)?
The canonical SMILES for 1,2-di(propan-2-yl)benzene;3,4-di(propan-2-yl)pyridazine;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(4,5-di(propan-2-yl)pyrimidine) is CC(C)c1ccccc1C(C)C.CC(C)c1cccnc1C(C)C.CC(C)c1cccnc1C(C)C.CC(C)c1ccncc1C(C)C.CC(C)c1ccncc1C(C)C.CC(C)c1ccnnc1C(C)C.CC(C)c1cncnc1C(C)C.CC(C)c1cncnc1C(C)C.
What is the InChIKey of 1,2-di(propan-2-yl)benzene;3,4-di(propan-2-yl)pyridazine;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(4,5-di(propan-2-yl)pyrimidine)?
The InChIKey is KYUONQAWXCINFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.4C11H17N.3C10H16N2/c1-9(2)11-7-5-6-8-12(11)10(3)4;2*1-8(2)10-5-6-12-7-11(10)9(3)4;2*1-8(2)10-6-5-7-12-11(10)9(3)4;2*1-7(2)9-5-11-6-12-10(9)8(3)4;1-7(2)9-5-6-11-12-10(9)8(3)4/h5-10H,1-4H3;4*5-9H,1-4H3;3*5-8H,1-4H3.
What are the key properties of 1,2-di(propan-2-yl)benzene;3,4-di(propan-2-yl)pyridazine;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(4,5-di(propan-2-yl)pyrimidine)?
1,2-di(propan-2-yl)benzene;3,4-di(propan-2-yl)pyridazine;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(4,5-di(propan-2-yl)pyrimidine) has a molecular weight of 1308.09 g/mol, XLogP of 25.42, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(propan-2-yl)benzene;3,4-di(propan-2-yl)pyridazine;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(4,5-di(propan-2-yl)pyrimidine) is sourced from PubChem (CID 159280113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).