bis(1,4-di(propan-2-yl)isoquinoline);tris(1,4-di(propan-2-yl)naphthalene);bis(5,8-di(propan-2-yl)quinoline)

C108H136N4 — CID 161240222

IUPACbis(1,4-di(propan-2-yl)isoquinoline);tris(1,4-di(propan-2-yl)naphthalene);bis(5,8-di(propan-2-yl)quinoline)
SMILESCC(C)c1ccc(C(C)C)c2ccccc12.CC(C)c1ccc(C(C)C)c2ccccc12.CC(C)c1ccc(C(C)C)c2ccccc12.CC(C)c1ccc(C(C)C)c2ncccc12.CC(C)c1ccc(C(C)C)c2ncccc12.CC(C)c1cnc(C(C)C)c2ccccc12.CC(C)c1cnc(C(C)C)c2ccccc12
InChIInChI=1S/3C16H20.4C15H19N/c3*1-11(2)13-9-10-14(12(3)4)16-8-6-5-7-15(13)16;2*1-10(2)12-7-8-13(11(3)4)15-14(12)6-5-9-16-15;2*1-10(2)14-9-16-15(11(3)4)13-8-6-5-7-12(13)14/h3*5-12H,1-4H3;4*5-11H,1-4H3
InChIKeyUZXAKPYSQXXTMA-UHFFFAOYSA-N
MW1490.30 g/mol
LogP33.19
Rot. Bonds14

About bis(1,4-di(propan-2-yl)isoquinoline);tris(1,4-di(propan-2-yl)naphthalene);bis(5,8-di(propan-2-yl)quinoline)

bis(1,4-di(propan-2-yl)isoquinoline);tris(1,4-di(propan-2-yl)naphthalene);bis(5,8-di(propan-2-yl)quinoline) (PubChem CID 161240222) has the molecular formula C108H136N4 and a molecular weight of 1490.30 g/mol. Its IUPAC name is bis(1,4-di(propan-2-yl)isoquinoline);tris(1,4-di(propan-2-yl)naphthalene);bis(5,8-di(propan-2-yl)quinoline).

Molecular Properties

Compound Namebis(1,4-di(propan-2-yl)isoquinoline);tris(1,4-di(propan-2-yl)naphthalene);bis(5,8-di(propan-2-yl)quinoline)
PubChem CID161240222
Molecular FormulaC108H136N4
Molecular Weight1490.30 g/mol
Exact Mass1489.08
IUPAC Namebis(1,4-di(propan-2-yl)isoquinoline);tris(1,4-di(propan-2-yl)naphthalene);bis(5,8-di(propan-2-yl)quinoline)
SMILESCC(C)c1ccc(C(C)C)c2ccccc12.CC(C)c1ccc(C(C)C)c2ccccc12.CC(C)c1ccc(C(C)C)c2ccccc12.CC(C)c1ccc(C(C)C)c2ncccc12.CC(C)c1ccc(C(C)C)c2ncccc12.CC(C)c1cnc(C(C)C)c2ccccc12.CC(C)c1cnc(C(C)C)c2ccccc12
InChIInChI=1S/3C16H20.4C15H19N/c3*1-11(2)13-9-10-14(12(3)4)16-8-6-5-7-15(13)16;2*1-10(2)12-7-8-13(11(3)4)15-14(12)6-5-9-16-15;2*1-10(2)14-9-16-15(11(3)4)13-8-6-5-7-12(13)14/h3*5-12H,1-4H3;4*5-11H,1-4H3
InChIKeyUZXAKPYSQXXTMA-UHFFFAOYSA-N
XLogP33.19
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001490.30
LogP ≤ 533.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-bromo-5-propan-2-ylquinoline
CID 22716768
8-ethyl-5-propan-2-yl-1,7-naphthyridine
CID 91121242
1,4-di(propan-2-yl)-2,6-naphthyridine
CID 130377986
5-ethyl-8-propan-2-yl-1,6-naphthyridine
CID 163259705
7,8-difluoro-5-propan-2-ylquinoline
CID 166491545
ethane;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridine
CID 177241545
6-methyl-8-propan-2-ylpyrido[2,3-d]pyridazin-5-one
CID 145029121
CID 158967293
CID 158967293
4-methyl-3,8-di(propan-2-yl)quinoline
CID 129268272
4-tert-butyl-1-propan-2-ylisoquinoline
CID 170136172
8-methylsulfanyl-4-propan-2-ylquinoline
CID 58755572
1,2-di(propan-2-yl)benzene;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine
CID 161335876

Frequently Asked Questions

What is the IUPAC name of bis(1,4-di(propan-2-yl)isoquinoline);tris(1,4-di(propan-2-yl)naphthalene);bis(5,8-di(propan-2-yl)quinoline)?
The IUPAC name of bis(1,4-di(propan-2-yl)isoquinoline);tris(1,4-di(propan-2-yl)naphthalene);bis(5,8-di(propan-2-yl)quinoline) (CID 161240222) is bis(1,4-di(propan-2-yl)isoquinoline);tris(1,4-di(propan-2-yl)naphthalene);bis(5,8-di(propan-2-yl)quinoline).
What is the SMILES notation for bis(1,4-di(propan-2-yl)isoquinoline);tris(1,4-di(propan-2-yl)naphthalene);bis(5,8-di(propan-2-yl)quinoline)?
The canonical SMILES for bis(1,4-di(propan-2-yl)isoquinoline);tris(1,4-di(propan-2-yl)naphthalene);bis(5,8-di(propan-2-yl)quinoline) is CC(C)c1ccc(C(C)C)c2ccccc12.CC(C)c1ccc(C(C)C)c2ccccc12.CC(C)c1ccc(C(C)C)c2ccccc12.CC(C)c1ccc(C(C)C)c2ncccc12.CC(C)c1ccc(C(C)C)c2ncccc12.CC(C)c1cnc(C(C)C)c2ccccc12.CC(C)c1cnc(C(C)C)c2ccccc12.
What is the InChIKey of bis(1,4-di(propan-2-yl)isoquinoline);tris(1,4-di(propan-2-yl)naphthalene);bis(5,8-di(propan-2-yl)quinoline)?
The InChIKey is UZXAKPYSQXXTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C16H20.4C15H19N/c3*1-11(2)13-9-10-14(12(3)4)16-8-6-5-7-15(13)16;2*1-10(2)12-7-8-13(11(3)4)15-14(12)6-5-9-16-15;2*1-10(2)14-9-16-15(11(3)4)13-8-6-5-7-12(13)14/h3*5-12H,1-4H3;4*5-11H,1-4H3.
What are the key properties of bis(1,4-di(propan-2-yl)isoquinoline);tris(1,4-di(propan-2-yl)naphthalene);bis(5,8-di(propan-2-yl)quinoline)?
bis(1,4-di(propan-2-yl)isoquinoline);tris(1,4-di(propan-2-yl)naphthalene);bis(5,8-di(propan-2-yl)quinoline) has a molecular weight of 1490.30 g/mol, XLogP of 33.19, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,4-di(propan-2-yl)isoquinoline);tris(1,4-di(propan-2-yl)naphthalene);bis(5,8-di(propan-2-yl)quinoline) is sourced from PubChem (CID 161240222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).