2-bromo-10-[5-(2-bromo-5-methylindolo[3,2-b]quinolin-5-ium-10-yl)pentyl]-5-methylindolo[3,2-b]quinolin-5-ium

C37H32Br2N4+2 — CID 58985811

About 2-bromo-10-[5-(2-bromo-5-methylindolo[3,2-b]quinolin-5-ium-10-yl)pentyl]-5-methylindolo[3,2-b]quinolin-5-ium

2-bromo-10-[5-(2-bromo-5-methylindolo[3,2-b]quinolin-5-ium-10-yl)pentyl]-5-methylindolo[3,2-b]quinolin-5-ium (PubChem CID 58985811) has the molecular formula C37H32Br2N4+2 and a molecular weight of 692.50 g/mol. Its IUPAC name is 2-bromo-10-[5-(2-bromo-5-methylindolo[3,2-b]quinolin-5-ium-10-yl)pentyl]-5-methylindolo[3,2-b]quinolin-5-ium.

Molecular Properties

• Compound Name: 2-bromo-10-[5-(2-bromo-5-methylindolo[3,2-b]quinolin-5-ium-10-yl)pentyl]-5-methylindolo[3,2-b]quinolin-5-ium
• PubChem CID: 58985811
• Molecular Formula: C37H32Br2N4+2
• Molecular Weight: 692.50 g/mol
• Exact Mass: 690.10
• IUPAC Name: 2-bromo-10-[5-(2-bromo-5-methylindolo[3,2-b]quinolin-5-ium-10-yl)pentyl]-5-methylindolo[3,2-b]quinolin-5-ium
• SMILES: C[n+]1c2ccc(Br)cc2cc2c1c1ccccc1n2CCCCCn1c2ccccc2c2c1cc1cc(Br)ccc1[n+]2C
• InChI: InChI=1S/C37H32Br2N4/c1-40-30-16-14-26(38)20-24(30)22-34-36(40)28-10-4-6-12-32(28)42(34)18-8-3-9-19-43-33-13-7-5-11-29(33)37-35(43)23-25-21-27(39)15-17-31(25)41(37)2/h4-7,10-17,20-23H,3,8-9,18-19H2,1-2H3/q+2
• InChIKey: JFPRARQGWCMWBJ-UHFFFAOYSA-N
• XLogP: 9.25
• TPSA: 17.62 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	692.50
LogP ≤ 5	9.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-10-[5-(2-bromo-5-methylindolo[3,2-b]quinolin-5-ium-10-yl)pentyl]-5-methylindolo[3,2-b]quinolin-5-ium?

The IUPAC name of 2-bromo-10-[5-(2-bromo-5-methylindolo[3,2-b]quinolin-5-ium-10-yl)pentyl]-5-methylindolo[3,2-b]quinolin-5-ium (CID 58985811) is 2-bromo-10-[5-(2-bromo-5-methylindolo[3,2-b]quinolin-5-ium-10-yl)pentyl]-5-methylindolo[3,2-b]quinolin-5-ium.

What is the SMILES notation for 2-bromo-10-[5-(2-bromo-5-methylindolo[3,2-b]quinolin-5-ium-10-yl)pentyl]-5-methylindolo[3,2-b]quinolin-5-ium?

The canonical SMILES for 2-bromo-10-[5-(2-bromo-5-methylindolo[3,2-b]quinolin-5-ium-10-yl)pentyl]-5-methylindolo[3,2-b]quinolin-5-ium is C[n+]1c2ccc(Br)cc2cc2c1c1ccccc1n2CCCCCn1c2ccccc2c2c1cc1cc(Br)ccc1[n+]2C.

What is the InChIKey of 2-bromo-10-[5-(2-bromo-5-methylindolo[3,2-b]quinolin-5-ium-10-yl)pentyl]-5-methylindolo[3,2-b]quinolin-5-ium?

The InChIKey is JFPRARQGWCMWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32Br2N4/c1-40-30-16-14-26(38)20-24(30)22-34-36(40)28-10-4-6-12-32(28)42(34)18-8-3-9-19-43-33-13-7-5-11-29(33)37-35(43)23-25-21-27(39)15-17-31(25)41(37)2/h4-7,10-17,20-23H,3,8-9,18-19H2,1-2H3/q+2.

What are the key properties of 2-bromo-10-[5-(2-bromo-5-methylindolo[3,2-b]quinolin-5-ium-10-yl)pentyl]-5-methylindolo[3,2-b]quinolin-5-ium?

2-bromo-10-[5-(2-bromo-5-methylindolo[3,2-b]quinolin-5-ium-10-yl)pentyl]-5-methylindolo[3,2-b]quinolin-5-ium has a molecular weight of 692.50 g/mol, XLogP of 9.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-10-[5-(2-bromo-5-methylindolo[3,2-b]quinolin-5-ium-10-yl)pentyl]-5-methylindolo[3,2-b]quinolin-5-ium is sourced from PubChem (CID 58985811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).