bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);1-(3-methylbutyl)-4-(7-methyloctyl)triazole;bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);bis(1-(6-methylheptyl)-5-(4-methylpentyl)triazole);bis(4-(6-methylheptyl)-1-(4-methylpentyl)triazole)

C146H283N27 — CID 158787873

About bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);1-(3-methylbutyl)-4-(7-methyloctyl)triazole;bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);bis(1-(6-methylheptyl)-5-(4-methylpentyl)triazole);bis(4-(6-methylheptyl)-1-(4-methylpentyl)triazole)

bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);1-(3-methylbutyl)-4-(7-methyloctyl)triazole;bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);bis(1-(6-methylheptyl)-5-(4-methylpentyl)triazole);bis(4-(6-methylheptyl)-1-(4-methylpentyl)triazole) (PubChem CID 158787873) has the molecular formula C146H283N27 and a molecular weight of 2417.06 g/mol. Its IUPAC name is bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);1-(3-methylbutyl)-4-(7-methyloctyl)triazole;bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);bis(1-(6-methylheptyl)-5-(4-methylpentyl)triazole);bis(4-(6-methylheptyl)-1-(4-methylpentyl)triazole).

Molecular Properties

• Compound Name: bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);1-(3-methylbutyl)-4-(7-methyloctyl)triazole;bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);bis(1-(6-methylheptyl)-5-(4-methylpentyl)triazole);bis(4-(6-methylheptyl)-1-(4-methylpentyl)triazole)
• PubChem CID: 158787873
• Molecular Formula: C146H283N27
• Molecular Weight: 2417.06 g/mol
• Exact Mass: 2415.30
• IUPAC Name: bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);1-(3-methylbutyl)-4-(7-methyloctyl)triazole;bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);bis(1-(6-methylheptyl)-5-(4-methylpentyl)triazole);bis(4-(6-methylheptyl)-1-(4-methylpentyl)triazole)
• SMILES: CC(C)CCCCCCCn1nncc1CCC(C)C.CC(C)CCCCCCCn1nncc1CCC(C)C.CC(C)CCCCCCc1cn(CCC(C)C)nn1.CC(C)CCCCCCn1nncc1CCC(C)C.CC(C)CCCCCCn1nncc1CCC(C)C.CC(C)CCCCCc1cn(CCCC(C)C)nn1.CC(C)CCCCCc1cn(CCCC(C)C)nn1.CC(C)CCCCCn1nncc1CCCC(C)C.CC(C)CCCCCn1nncc1CCCC(C)C
• InChI: InChI=1S/2C17H33N3.7C16H31N3/c2*1-15(2)10-8-6-5-7-9-13-20-17(14-18-19-20)12-11-16(3)4;2*1-14(2)9-6-5-7-12-19-16(13-17-18-19)11-8-10-15(3)4;2*1-14(2)9-6-5-7-11-16-13-19(18-17-16)12-8-10-15(3)4;2*1-14(2)9-7-5-6-8-12-19-16(13-17-18-19)11-10-15(3)4;1-14(2)9-7-5-6-8-10-16-13-19(18-17-16)12-11-15(3)4/h2*14-16H,5-13H2,1-4H3;7*13-15H,5-12H2,1-4H3
• InChIKey: IRXINUYRPALPIA-UHFFFAOYSA-N
• XLogP: 41.04
• TPSA: 276.39 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 92
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2417.06
LogP ≤ 5	41.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);1-(3-methylbutyl)-4-(7-methyloctyl)triazole;bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);bis(1-(6-methylheptyl)-5-(4-methylpentyl)triazole);bis(4-(6-methylheptyl)-1-(4-methylpentyl)triazole)?

The IUPAC name of bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);1-(3-methylbutyl)-4-(7-methyloctyl)triazole;bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);bis(1-(6-methylheptyl)-5-(4-methylpentyl)triazole);bis(4-(6-methylheptyl)-1-(4-methylpentyl)triazole) (CID 158787873) is bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);1-(3-methylbutyl)-4-(7-methyloctyl)triazole;bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);bis(1-(6-methylheptyl)-5-(4-methylpentyl)triazole);bis(4-(6-methylheptyl)-1-(4-methylpentyl)triazole).

What is the SMILES notation for bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);1-(3-methylbutyl)-4-(7-methyloctyl)triazole;bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);bis(1-(6-methylheptyl)-5-(4-methylpentyl)triazole);bis(4-(6-methylheptyl)-1-(4-methylpentyl)triazole)?

The canonical SMILES for bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);1-(3-methylbutyl)-4-(7-methyloctyl)triazole;bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);bis(1-(6-methylheptyl)-5-(4-methylpentyl)triazole);bis(4-(6-methylheptyl)-1-(4-methylpentyl)triazole) is CC(C)CCCCCCCn1nncc1CCC(C)C.CC(C)CCCCCCCn1nncc1CCC(C)C.CC(C)CCCCCCc1cn(CCC(C)C)nn1.CC(C)CCCCCCn1nncc1CCC(C)C.CC(C)CCCCCCn1nncc1CCC(C)C.CC(C)CCCCCc1cn(CCCC(C)C)nn1.CC(C)CCCCCc1cn(CCCC(C)C)nn1.CC(C)CCCCCn1nncc1CCCC(C)C.CC(C)CCCCCn1nncc1CCCC(C)C.

What is the InChIKey of bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);1-(3-methylbutyl)-4-(7-methyloctyl)triazole;bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);bis(1-(6-methylheptyl)-5-(4-methylpentyl)triazole);bis(4-(6-methylheptyl)-1-(4-methylpentyl)triazole)?

The InChIKey is IRXINUYRPALPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H33N3.7C16H31N3/c2*1-15(2)10-8-6-5-7-9-13-20-17(14-18-19-20)12-11-16(3)4;2*1-14(2)9-6-5-7-12-19-16(13-17-18-19)11-8-10-15(3)4;2*1-14(2)9-6-5-7-11-16-13-19(18-17-16)12-8-10-15(3)4;2*1-14(2)9-7-5-6-8-12-19-16(13-17-18-19)11-10-15(3)4;1-14(2)9-7-5-6-8-10-16-13-19(18-17-16)12-11-15(3)4/h2*14-16H,5-13H2,1-4H3;7*13-15H,5-12H2,1-4H3.

What are the key properties of bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);1-(3-methylbutyl)-4-(7-methyloctyl)triazole;bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);bis(1-(6-methylheptyl)-5-(4-methylpentyl)triazole);bis(4-(6-methylheptyl)-1-(4-methylpentyl)triazole)?

bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);1-(3-methylbutyl)-4-(7-methyloctyl)triazole;bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);bis(1-(6-methylheptyl)-5-(4-methylpentyl)triazole);bis(4-(6-methylheptyl)-1-(4-methylpentyl)triazole) has a molecular weight of 2417.06 g/mol, XLogP of 41.04, 92 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);1-(3-methylbutyl)-4-(7-methyloctyl)triazole;bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);bis(1-(6-methylheptyl)-5-(4-methylpentyl)triazole);bis(4-(6-methylheptyl)-1-(4-methylpentyl)triazole) is sourced from PubChem (CID 158787873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).