2,5-di(propan-2-yl)furan;2,6-di(propan-2-yl)naphthalene;2,7-di(propan-2-yl)naphthalene;3,5-di(propan-2-yl)-1H-pyrazole;2,5-di(propan-2-yl)thiophene;1-methyl-3,5-di(propan-2-yl)pyrazole;4-propan-2-yl-2-(4-propan-2-yl-2-pyridinyl)pyridine;5-propan-2-yl-2-(5-propan-2-yl-2-pyridinyl)pyridine

C103H146N8OS — CID 158490540

About 2,5-di(propan-2-yl)furan;2,6-di(propan-2-yl)naphthalene;2,7-di(propan-2-yl)naphthalene;3,5-di(propan-2-yl)-1H-pyrazole;2,5-di(propan-2-yl)thiophene;1-methyl-3,5-di(propan-2-yl)pyrazole;4-propan-2-yl-2-(4-propan-2-yl-2-pyridinyl)pyridine;5-propan-2-yl-2-(5-propan-2-yl-2-pyridinyl)pyridine

2,5-di(propan-2-yl)furan;2,6-di(propan-2-yl)naphthalene;2,7-di(propan-2-yl)naphthalene;3,5-di(propan-2-yl)-1H-pyrazole;2,5-di(propan-2-yl)thiophene;1-methyl-3,5-di(propan-2-yl)pyrazole;4-propan-2-yl-2-(4-propan-2-yl-2-pyridinyl)pyridine;5-propan-2-yl-2-(5-propan-2-yl-2-pyridinyl)pyridine (PubChem CID 158490540) has the molecular formula C103H146N8OS and a molecular weight of 1544.42 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)furan;2,6-di(propan-2-yl)naphthalene;2,7-di(propan-2-yl)naphthalene;3,5-di(propan-2-yl)-1H-pyrazole;2,5-di(propan-2-yl)thiophene;1-methyl-3,5-di(propan-2-yl)pyrazole;4-propan-2-yl-2-(4-propan-2-yl-2-pyridinyl)pyridine;5-propan-2-yl-2-(5-propan-2-yl-2-pyridinyl)pyridine.

Molecular Properties

• Compound Name: 2,5-di(propan-2-yl)furan;2,6-di(propan-2-yl)naphthalene;2,7-di(propan-2-yl)naphthalene;3,5-di(propan-2-yl)-1H-pyrazole;2,5-di(propan-2-yl)thiophene;1-methyl-3,5-di(propan-2-yl)pyrazole;4-propan-2-yl-2-(4-propan-2-yl-2-pyridinyl)pyridine;5-propan-2-yl-2-(5-propan-2-yl-2-pyridinyl)pyridine
• PubChem CID: 158490540
• Molecular Formula: C103H146N8OS
• Molecular Weight: 1544.42 g/mol
• Exact Mass: 1543.13
• IUPAC Name: 2,5-di(propan-2-yl)furan;2,6-di(propan-2-yl)naphthalene;2,7-di(propan-2-yl)naphthalene;3,5-di(propan-2-yl)-1H-pyrazole;2,5-di(propan-2-yl)thiophene;1-methyl-3,5-di(propan-2-yl)pyrazole;4-propan-2-yl-2-(4-propan-2-yl-2-pyridinyl)pyridine;5-propan-2-yl-2-(5-propan-2-yl-2-pyridinyl)pyridine
• SMILES: CC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cc(C(C)C)n(C)n1.CC(C)c1ccc(-c2ccc(C(C)C)cn2)nc1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.CC(C)c1ccc2cc(C(C)C)ccc2c1.CC(C)c1ccc2ccc(C(C)C)cc2c1.CC(C)c1ccnc(-c2cc(C(C)C)ccn2)c1
• InChI: InChI=1S/2C16H20N2.2C16H20.C10H18N2.C10H16O.C10H16S.C9H16N2/c1-11(2)13-5-7-17-15(9-13)16-10-14(12(3)4)6-8-18-16;1-11(2)13-5-7-15(17-9-13)16-8-6-14(10-18-16)12(3)4;1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13;1-11(2)14-7-5-13-6-8-15(12(3)4)10-16(13)9-14;1-7(2)9-6-10(8(3)4)12(5)11-9;2*1-7(2)9-5-6-10(11-9)8(3)4;1-6(2)8-5-9(7(3)4)11-10-8/h2*5-12H,1-4H3;2*5-12H,1-4H3;6-8H,1-5H3;2*5-8H,1-4H3;5-7H,1-4H3,(H,10,11)
• InChIKey: HIQGLICTFPBORL-UHFFFAOYSA-N
• XLogP: 31.80
• TPSA: 111.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 18
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1544.42
LogP ≤ 5	31.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)furan;2,6-di(propan-2-yl)naphthalene;2,7-di(propan-2-yl)naphthalene;3,5-di(propan-2-yl)-1H-pyrazole;2,5-di(propan-2-yl)thiophene;1-methyl-3,5-di(propan-2-yl)pyrazole;4-propan-2-yl-2-(4-propan-2-yl-2-pyridinyl)pyridine;5-propan-2-yl-2-(5-propan-2-yl-2-pyridinyl)pyridine?

The IUPAC name of 2,5-di(propan-2-yl)furan;2,6-di(propan-2-yl)naphthalene;2,7-di(propan-2-yl)naphthalene;3,5-di(propan-2-yl)-1H-pyrazole;2,5-di(propan-2-yl)thiophene;1-methyl-3,5-di(propan-2-yl)pyrazole;4-propan-2-yl-2-(4-propan-2-yl-2-pyridinyl)pyridine;5-propan-2-yl-2-(5-propan-2-yl-2-pyridinyl)pyridine (CID 158490540) is 2,5-di(propan-2-yl)furan;2,6-di(propan-2-yl)naphthalene;2,7-di(propan-2-yl)naphthalene;3,5-di(propan-2-yl)-1H-pyrazole;2,5-di(propan-2-yl)thiophene;1-methyl-3,5-di(propan-2-yl)pyrazole;4-propan-2-yl-2-(4-propan-2-yl-2-pyridinyl)pyridine;5-propan-2-yl-2-(5-propan-2-yl-2-pyridinyl)pyridine.

What is the SMILES notation for 2,5-di(propan-2-yl)furan;2,6-di(propan-2-yl)naphthalene;2,7-di(propan-2-yl)naphthalene;3,5-di(propan-2-yl)-1H-pyrazole;2,5-di(propan-2-yl)thiophene;1-methyl-3,5-di(propan-2-yl)pyrazole;4-propan-2-yl-2-(4-propan-2-yl-2-pyridinyl)pyridine;5-propan-2-yl-2-(5-propan-2-yl-2-pyridinyl)pyridine?

The canonical SMILES for 2,5-di(propan-2-yl)furan;2,6-di(propan-2-yl)naphthalene;2,7-di(propan-2-yl)naphthalene;3,5-di(propan-2-yl)-1H-pyrazole;2,5-di(propan-2-yl)thiophene;1-methyl-3,5-di(propan-2-yl)pyrazole;4-propan-2-yl-2-(4-propan-2-yl-2-pyridinyl)pyridine;5-propan-2-yl-2-(5-propan-2-yl-2-pyridinyl)pyridine is CC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cc(C(C)C)n(C)n1.CC(C)c1ccc(-c2ccc(C(C)C)cn2)nc1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.CC(C)c1ccc2cc(C(C)C)ccc2c1.CC(C)c1ccc2ccc(C(C)C)cc2c1.CC(C)c1ccnc(-c2cc(C(C)C)ccn2)c1.

What is the InChIKey of 2,5-di(propan-2-yl)furan;2,6-di(propan-2-yl)naphthalene;2,7-di(propan-2-yl)naphthalene;3,5-di(propan-2-yl)-1H-pyrazole;2,5-di(propan-2-yl)thiophene;1-methyl-3,5-di(propan-2-yl)pyrazole;4-propan-2-yl-2-(4-propan-2-yl-2-pyridinyl)pyridine;5-propan-2-yl-2-(5-propan-2-yl-2-pyridinyl)pyridine?

The InChIKey is HIQGLICTFPBORL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H20N2.2C16H20.C10H18N2.C10H16O.C10H16S.C9H16N2/c1-11(2)13-5-7-17-15(9-13)16-10-14(12(3)4)6-8-18-16;1-11(2)13-5-7-15(17-9-13)16-8-6-14(10-18-16)12(3)4;1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13;1-11(2)14-7-5-13-6-8-15(12(3)4)10-16(13)9-14;1-7(2)9-6-10(8(3)4)12(5)11-9;2*1-7(2)9-5-6-10(11-9)8(3)4;1-6(2)8-5-9(7(3)4)11-10-8/h2*5-12H,1-4H3;2*5-12H,1-4H3;6-8H,1-5H3;2*5-8H,1-4H3;5-7H,1-4H3,(H,10,11).

What are the key properties of 2,5-di(propan-2-yl)furan;2,6-di(propan-2-yl)naphthalene;2,7-di(propan-2-yl)naphthalene;3,5-di(propan-2-yl)-1H-pyrazole;2,5-di(propan-2-yl)thiophene;1-methyl-3,5-di(propan-2-yl)pyrazole;4-propan-2-yl-2-(4-propan-2-yl-2-pyridinyl)pyridine;5-propan-2-yl-2-(5-propan-2-yl-2-pyridinyl)pyridine?

2,5-di(propan-2-yl)furan;2,6-di(propan-2-yl)naphthalene;2,7-di(propan-2-yl)naphthalene;3,5-di(propan-2-yl)-1H-pyrazole;2,5-di(propan-2-yl)thiophene;1-methyl-3,5-di(propan-2-yl)pyrazole;4-propan-2-yl-2-(4-propan-2-yl-2-pyridinyl)pyridine;5-propan-2-yl-2-(5-propan-2-yl-2-pyridinyl)pyridine has a molecular weight of 1544.42 g/mol, XLogP of 31.80, 18 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-di(propan-2-yl)furan;2,6-di(propan-2-yl)naphthalene;2,7-di(propan-2-yl)naphthalene;3,5-di(propan-2-yl)-1H-pyrazole;2,5-di(propan-2-yl)thiophene;1-methyl-3,5-di(propan-2-yl)pyrazole;4-propan-2-yl-2-(4-propan-2-yl-2-pyridinyl)pyridine;5-propan-2-yl-2-(5-propan-2-yl-2-pyridinyl)pyridine is sourced from PubChem (CID 158490540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).