2-[4-[3-[isoquinolin-1-yl(naphthalen-1-yl)amino]benzene-2-id-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;platinum

C40H26N5OPt- — CID 153280523

About 2-[4-[3-[isoquinolin-1-yl(naphthalen-1-yl)amino]benzene-2-id-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;platinum

2-[4-[3-[isoquinolin-1-yl(naphthalen-1-yl)amino]benzene-2-id-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;platinum (PubChem CID 153280523) has the molecular formula C40H26N5OPt- and a molecular weight of 787.76 g/mol. Its IUPAC name is 2-[4-[3-[isoquinolin-1-yl(naphthalen-1-yl)amino]benzene-2-id-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[4-[3-[isoquinolin-1-yl(naphthalen-1-yl)amino]benzene-2-id-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;platinum
• PubChem CID: 153280523
• Molecular Formula: C40H26N5OPt-
• Molecular Weight: 787.76 g/mol
• Exact Mass: 787.18
• IUPAC Name: 2-[4-[3-[isoquinolin-1-yl(naphthalen-1-yl)amino]benzene-2-id-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;platinum
• SMILES: Oc1ccccc1-c1nc(-c2[c-]c(N(c3cccc4ccccc34)c3nccc4ccccc34)ccc2)nc(-c2ccccc2)n1.[Pt]
• InChI: InChI=1S/C40H26N5O.Pt/c46-36-23-9-8-21-34(36)39-43-37(29-14-2-1-3-15-29)42-38(44-39)30-17-10-18-31(26-30)45(35-22-11-16-27-12-4-6-19-32(27)35)40-33-20-7-5-13-28(33)24-25-41-40;/h1-25,46H;/q-1
• InChIKey: LLVREGIZPCNFKG-UHFFFAOYSA-N
• XLogP: 9.55
• TPSA: 75.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	787.76
LogP ≤ 5	9.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[isoquinolin-1-yl(naphthalen-1-yl)amino]benzene-2-id-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;platinum?

The IUPAC name of 2-[4-[3-[isoquinolin-1-yl(naphthalen-1-yl)amino]benzene-2-id-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;platinum (CID 153280523) is 2-[4-[3-[isoquinolin-1-yl(naphthalen-1-yl)amino]benzene-2-id-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;platinum.

What is the SMILES notation for 2-[4-[3-[isoquinolin-1-yl(naphthalen-1-yl)amino]benzene-2-id-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;platinum?

The canonical SMILES for 2-[4-[3-[isoquinolin-1-yl(naphthalen-1-yl)amino]benzene-2-id-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;platinum is Oc1ccccc1-c1nc(-c2[c-]c(N(c3cccc4ccccc34)c3nccc4ccccc34)ccc2)nc(-c2ccccc2)n1.[Pt].

What is the InChIKey of 2-[4-[3-[isoquinolin-1-yl(naphthalen-1-yl)amino]benzene-2-id-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;platinum?

The InChIKey is LLVREGIZPCNFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N5O.Pt/c46-36-23-9-8-21-34(36)39-43-37(29-14-2-1-3-15-29)42-38(44-39)30-17-10-18-31(26-30)45(35-22-11-16-27-12-4-6-19-32(27)35)40-33-20-7-5-13-28(33)24-25-41-40;/h1-25,46H;/q-1;.

What are the key properties of 2-[4-[3-[isoquinolin-1-yl(naphthalen-1-yl)amino]benzene-2-id-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;platinum?

2-[4-[3-[isoquinolin-1-yl(naphthalen-1-yl)amino]benzene-2-id-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;platinum has a molecular weight of 787.76 g/mol, XLogP of 9.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-[isoquinolin-1-yl(naphthalen-1-yl)amino]benzene-2-id-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;platinum is sourced from PubChem (CID 153280523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).