N-(4-bromophenyl)-1-[10-[4-[(4-bromophenyl)carbamoyl]pyridin-1-ium-1-yl]decyl]pyridin-1-ium-4-carboxamide dibromide

C34H38Br4N4O2 — CID 44586419

About N-(4-bromophenyl)-1-[10-[4-[(4-bromophenyl)carbamoyl]pyridin-1-ium-1-yl]decyl]pyridin-1-ium-4-carboxamide dibromide

N-(4-bromophenyl)-1-[10-[4-[(4-bromophenyl)carbamoyl]pyridin-1-ium-1-yl]decyl]pyridin-1-ium-4-carboxamide dibromide (PubChem CID 44586419) has the molecular formula C34H38Br4N4O2 and a molecular weight of 854.32 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-[10-[4-[(4-bromophenyl)carbamoyl]pyridin-1-ium-1-yl]decyl]pyridin-1-ium-4-carboxamide dibromide.

Molecular Properties

• Compound Name: N-(4-bromophenyl)-1-[10-[4-[(4-bromophenyl)carbamoyl]pyridin-1-ium-1-yl]decyl]pyridin-1-ium-4-carboxamide dibromide
• PubChem CID: 44586419
• Molecular Formula: C34H38Br4N4O2
• Molecular Weight: 854.32 g/mol
• Exact Mass: 849.97
• IUPAC Name: N-(4-bromophenyl)-1-[10-[4-[(4-bromophenyl)carbamoyl]pyridin-1-ium-1-yl]decyl]pyridin-1-ium-4-carboxamide dibromide
• SMILES: O=C(Nc1ccc(Br)cc1)c1cc[n+](CCCCCCCCCC[n+]2ccc(C(=O)Nc3ccc(Br)cc3)cc2)cc1.[Br-].[Br-]
• InChI: InChI=1S/C34H36Br2N4O2.2BrH/c35-29-9-13-31(14-10-29)37-33(41)27-17-23-39(24-18-27)21-7-5-3-1-2-4-6-8-22-40-25-19-28(20-26-40)34(42)38-32-15-11-30(36)12-16-32;;/h9-20,23-26H,1-8,21-22H2;2*1H
• InChIKey: GNUONJGFUIKEJH-UHFFFAOYSA-N
• XLogP: 2.12
• TPSA: 65.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 15
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	854.32
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'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 N-(4-bromophenyl)-1-[10-[4-[(4-bromophenyl)carbamoyl]pyridin-1-ium-1-yl]decyl]pyridin-1-ium-4-carboxamide dibromide?

The IUPAC name of N-(4-bromophenyl)-1-[10-[4-[(4-bromophenyl)carbamoyl]pyridin-1-ium-1-yl]decyl]pyridin-1-ium-4-carboxamide dibromide (CID 44586419) is N-(4-bromophenyl)-1-[10-[4-[(4-bromophenyl)carbamoyl]pyridin-1-ium-1-yl]decyl]pyridin-1-ium-4-carboxamide dibromide.

What is the SMILES notation for N-(4-bromophenyl)-1-[10-[4-[(4-bromophenyl)carbamoyl]pyridin-1-ium-1-yl]decyl]pyridin-1-ium-4-carboxamide dibromide?

The canonical SMILES for N-(4-bromophenyl)-1-[10-[4-[(4-bromophenyl)carbamoyl]pyridin-1-ium-1-yl]decyl]pyridin-1-ium-4-carboxamide dibromide is O=C(Nc1ccc(Br)cc1)c1cc[n+](CCCCCCCCCC[n+]2ccc(C(=O)Nc3ccc(Br)cc3)cc2)cc1.[Br-].[Br-].

What is the InChIKey of N-(4-bromophenyl)-1-[10-[4-[(4-bromophenyl)carbamoyl]pyridin-1-ium-1-yl]decyl]pyridin-1-ium-4-carboxamide dibromide?

The InChIKey is GNUONJGFUIKEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36Br2N4O2.2BrH/c35-29-9-13-31(14-10-29)37-33(41)27-17-23-39(24-18-27)21-7-5-3-1-2-4-6-8-22-40-25-19-28(20-26-40)34(42)38-32-15-11-30(36)12-16-32;;/h9-20,23-26H,1-8,21-22H2;2*1H.

What are the key properties of N-(4-bromophenyl)-1-[10-[4-[(4-bromophenyl)carbamoyl]pyridin-1-ium-1-yl]decyl]pyridin-1-ium-4-carboxamide dibromide?

N-(4-bromophenyl)-1-[10-[4-[(4-bromophenyl)carbamoyl]pyridin-1-ium-1-yl]decyl]pyridin-1-ium-4-carboxamide dibromide has a molecular weight of 854.32 g/mol, XLogP of 2.12, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-bromophenyl)-1-[10-[4-[(4-bromophenyl)carbamoyl]pyridin-1-ium-1-yl]decyl]pyridin-1-ium-4-carboxamide dibromide is sourced from PubChem (CID 44586419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).