9-phenyl-2-[5-phenyl-3-(8-phenyl-3H-naphthalen-3-id-2-yl)isoquinolin-1-yl]pyrido[2,3-b]indole;platinum(2+)

C48H29N3Pt — CID 171043699

About 9-phenyl-2-[5-phenyl-3-(8-phenyl-3H-naphthalen-3-id-2-yl)isoquinolin-1-yl]pyrido[2,3-b]indole;platinum(2+)

9-phenyl-2-[5-phenyl-3-(8-phenyl-3H-naphthalen-3-id-2-yl)isoquinolin-1-yl]pyrido[2,3-b]indole;platinum(2+) (PubChem CID 171043699) has the molecular formula C48H29N3Pt and a molecular weight of 842.86 g/mol. Its IUPAC name is 9-phenyl-2-[5-phenyl-3-(8-phenyl-3H-naphthalen-3-id-2-yl)isoquinolin-1-yl]pyrido[2,3-b]indole;platinum(2+).

Molecular Properties

• Compound Name: 9-phenyl-2-[5-phenyl-3-(8-phenyl-3H-naphthalen-3-id-2-yl)isoquinolin-1-yl]pyrido[2,3-b]indole;platinum(2+)
• PubChem CID: 171043699
• Molecular Formula: C48H29N3Pt
• Molecular Weight: 842.86 g/mol
• Exact Mass: 842.20
• IUPAC Name: 9-phenyl-2-[5-phenyl-3-(8-phenyl-3H-naphthalen-3-id-2-yl)isoquinolin-1-yl]pyrido[2,3-b]indole;platinum(2+)
• SMILES: [Pt+2].[c-]1cc2cccc(-c3ccccc3)c2cc1-c1cc2c(-c3ccccc3)cccc2c(-c2ccc3c4ccccc4n(-c4[c-]cccc4)c3n2)n1
• InChI: InChI=1S/C48H29N3.Pt/c1-4-14-32(15-5-1)37-22-12-18-34-26-27-35(30-42(34)37)45-31-43-38(33-16-6-2-7-17-33)23-13-24-40(43)47(49-45)44-29-28-41-39-21-10-11-25-46(39)51(48(41)50-44)36-19-8-3-9-20-36;/h1-19,21-26,28-31H;/q-2;+2
• InChIKey: PRWMVFXZSDJPFY-UHFFFAOYSA-N
• XLogP: 12.15
• TPSA: 30.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	842.86
LogP ≤ 5	12.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-2-[5-phenyl-3-(8-phenyl-3H-naphthalen-3-id-2-yl)isoquinolin-1-yl]pyrido[2,3-b]indole;platinum(2+)?

The IUPAC name of 9-phenyl-2-[5-phenyl-3-(8-phenyl-3H-naphthalen-3-id-2-yl)isoquinolin-1-yl]pyrido[2,3-b]indole;platinum(2+) (CID 171043699) is 9-phenyl-2-[5-phenyl-3-(8-phenyl-3H-naphthalen-3-id-2-yl)isoquinolin-1-yl]pyrido[2,3-b]indole;platinum(2+).

What is the SMILES notation for 9-phenyl-2-[5-phenyl-3-(8-phenyl-3H-naphthalen-3-id-2-yl)isoquinolin-1-yl]pyrido[2,3-b]indole;platinum(2+)?

The canonical SMILES for 9-phenyl-2-[5-phenyl-3-(8-phenyl-3H-naphthalen-3-id-2-yl)isoquinolin-1-yl]pyrido[2,3-b]indole;platinum(2+) is [Pt+2].[c-]1cc2cccc(-c3ccccc3)c2cc1-c1cc2c(-c3ccccc3)cccc2c(-c2ccc3c4ccccc4n(-c4[c-]cccc4)c3n2)n1.

What is the InChIKey of 9-phenyl-2-[5-phenyl-3-(8-phenyl-3H-naphthalen-3-id-2-yl)isoquinolin-1-yl]pyrido[2,3-b]indole;platinum(2+)?

The InChIKey is PRWMVFXZSDJPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N3.Pt/c1-4-14-32(15-5-1)37-22-12-18-34-26-27-35(30-42(34)37)45-31-43-38(33-16-6-2-7-17-33)23-13-24-40(43)47(49-45)44-29-28-41-39-21-10-11-25-46(39)51(48(41)50-44)36-19-8-3-9-20-36;/h1-19,21-26,28-31H;/q-2;+2.

What are the key properties of 9-phenyl-2-[5-phenyl-3-(8-phenyl-3H-naphthalen-3-id-2-yl)isoquinolin-1-yl]pyrido[2,3-b]indole;platinum(2+)?

9-phenyl-2-[5-phenyl-3-(8-phenyl-3H-naphthalen-3-id-2-yl)isoquinolin-1-yl]pyrido[2,3-b]indole;platinum(2+) has a molecular weight of 842.86 g/mol, XLogP of 12.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-2-[5-phenyl-3-(8-phenyl-3H-naphthalen-3-id-2-yl)isoquinolin-1-yl]pyrido[2,3-b]indole;platinum(2+) is sourced from PubChem (CID 171043699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).