[4-[5-[2-[4-(azaniumylmethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium

C42H34N6+2 — CID 58524189

About [4-[5-[2-[4-(azaniumylmethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium

[4-[5-[2-[4-(azaniumylmethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium (PubChem CID 58524189) has the molecular formula C42H34N6+2 and a molecular weight of 622.78 g/mol. Its IUPAC name is [4-[5-[2-[4-(azaniumylmethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium.

Molecular Properties

• Compound Name: [4-[5-[2-[4-(azaniumylmethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
• PubChem CID: 58524189
• Molecular Formula: C42H34N6+2
• Molecular Weight: 622.78 g/mol
• Exact Mass: 622.28
• IUPAC Name: [4-[5-[2-[4-(azaniumylmethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
• SMILES: [NH3+]Cc1ccc(-c2nc3ccnc(-c4nccc5nc(-c6ccc(C[NH3+])cc6)c(-c6ccccc6)cc45)c3cc2-c2ccccc2)cc1
• InChI: InChI=1S/C42H32N6/c43-25-27-11-15-31(16-12-27)39-33(29-7-3-1-4-8-29)23-35-37(47-39)19-21-45-41(35)42-36-24-34(30-9-5-2-6-10-30)40(48-38(36)20-22-46-42)32-17-13-28(26-44)14-18-32/h1-24H,25-26,43-44H2/p+2
• InChIKey: YIXPTKJGKVSSLB-UHFFFAOYSA-P
• XLogP: 7.39
• TPSA: 106.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	622.78
LogP ≤ 5	7.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [4-[5-[2-[4-(azaniumylmethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium?

The IUPAC name of [4-[5-[2-[4-(azaniumylmethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium (CID 58524189) is [4-[5-[2-[4-(azaniumylmethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium.

What is the SMILES notation for [4-[5-[2-[4-(azaniumylmethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium?

The canonical SMILES for [4-[5-[2-[4-(azaniumylmethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium is [NH3+]Cc1ccc(-c2nc3ccnc(-c4nccc5nc(-c6ccc(C[NH3+])cc6)c(-c6ccccc6)cc45)c3cc2-c2ccccc2)cc1.

What is the InChIKey of [4-[5-[2-[4-(azaniumylmethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium?

The InChIKey is YIXPTKJGKVSSLB-UHFFFAOYSA-P. The full InChI is InChI=1S/C42H32N6/c43-25-27-11-15-31(16-12-27)39-33(29-7-3-1-4-8-29)23-35-37(47-39)19-21-45-41(35)42-36-24-34(30-9-5-2-6-10-30)40(48-38(36)20-22-46-42)32-17-13-28(26-44)14-18-32/h1-24H,25-26,43-44H2/p+2.

What are the key properties of [4-[5-[2-[4-(azaniumylmethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium?

[4-[5-[2-[4-(azaniumylmethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium has a molecular weight of 622.78 g/mol, XLogP of 7.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[5-[2-[4-(azaniumylmethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium is sourced from PubChem (CID 58524189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).