platinum(2+);5-pyridin-2-yl-3-[(5-pyridin-2-yl-4H-[1]benzothiolo[2,3-g]carbazol-4-id-3-yl)oxy]-4H-[1]benzothiolo[3,2-c]carbazol-4-ide

C46H24N4OPtS2 — CID 153429134

About platinum(2+);5-pyridin-2-yl-3-[(5-pyridin-2-yl-4H-[1]benzothiolo[2,3-g]carbazol-4-id-3-yl)oxy]-4H-[1]benzothiolo[3,2-c]carbazol-4-ide

platinum(2+);5-pyridin-2-yl-3-[(5-pyridin-2-yl-4H-[1]benzothiolo[2,3-g]carbazol-4-id-3-yl)oxy]-4H-[1]benzothiolo[3,2-c]carbazol-4-ide (PubChem CID 153429134) has the molecular formula C46H24N4OPtS2 and a molecular weight of 907.94 g/mol. Its IUPAC name is platinum(2+);5-pyridin-2-yl-3-[(5-pyridin-2-yl-4H-[1]benzothiolo[2,3-g]carbazol-4-id-3-yl)oxy]-4H-[1]benzothiolo[3,2-c]carbazol-4-ide.

Molecular Properties

• Compound Name: platinum(2+);5-pyridin-2-yl-3-[(5-pyridin-2-yl-4H-[1]benzothiolo[2,3-g]carbazol-4-id-3-yl)oxy]-4H-[1]benzothiolo[3,2-c]carbazol-4-ide
• PubChem CID: 153429134
• Molecular Formula: C46H24N4OPtS2
• Molecular Weight: 907.94 g/mol
• Exact Mass: 907.10
• IUPAC Name: platinum(2+);5-pyridin-2-yl-3-[(5-pyridin-2-yl-4H-[1]benzothiolo[2,3-g]carbazol-4-id-3-yl)oxy]-4H-[1]benzothiolo[3,2-c]carbazol-4-ide
• SMILES: [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2c4sc5ccccc5c4ccc2n3-c2ccccn2)ccc2c3c4sc5ccccc5c4ccc3n(-c3ccccn3)c12
• InChI: InChI=1S/C46H24N4OS2.Pt/c1-3-11-39-29(9-1)31-19-21-35-43(45(31)52-39)33-17-15-27(25-37(33)49(35)41-13-5-7-23-47-41)51-28-16-18-34-38(26-28)50(42-14-6-8-24-48-42)36-22-20-32-30-10-2-4-12-40(30)53-46(32)44(34)36;/h1-24H;/q-2;+2
• InChIKey: NBSRDNCZUSTSJE-UHFFFAOYSA-N
• XLogP: 12.80
• TPSA: 44.87 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	907.94
LogP ≤ 5	12.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of platinum(2+);5-pyridin-2-yl-3-[(5-pyridin-2-yl-4H-[1]benzothiolo[2,3-g]carbazol-4-id-3-yl)oxy]-4H-[1]benzothiolo[3,2-c]carbazol-4-ide?

The IUPAC name of platinum(2+);5-pyridin-2-yl-3-[(5-pyridin-2-yl-4H-[1]benzothiolo[2,3-g]carbazol-4-id-3-yl)oxy]-4H-[1]benzothiolo[3,2-c]carbazol-4-ide (CID 153429134) is platinum(2+);5-pyridin-2-yl-3-[(5-pyridin-2-yl-4H-[1]benzothiolo[2,3-g]carbazol-4-id-3-yl)oxy]-4H-[1]benzothiolo[3,2-c]carbazol-4-ide.

What is the SMILES notation for platinum(2+);5-pyridin-2-yl-3-[(5-pyridin-2-yl-4H-[1]benzothiolo[2,3-g]carbazol-4-id-3-yl)oxy]-4H-[1]benzothiolo[3,2-c]carbazol-4-ide?

The canonical SMILES for platinum(2+);5-pyridin-2-yl-3-[(5-pyridin-2-yl-4H-[1]benzothiolo[2,3-g]carbazol-4-id-3-yl)oxy]-4H-[1]benzothiolo[3,2-c]carbazol-4-ide is [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2c4sc5ccccc5c4ccc2n3-c2ccccn2)ccc2c3c4sc5ccccc5c4ccc3n(-c3ccccn3)c12.

What is the InChIKey of platinum(2+);5-pyridin-2-yl-3-[(5-pyridin-2-yl-4H-[1]benzothiolo[2,3-g]carbazol-4-id-3-yl)oxy]-4H-[1]benzothiolo[3,2-c]carbazol-4-ide?

The InChIKey is NBSRDNCZUSTSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H24N4OS2.Pt/c1-3-11-39-29(9-1)31-19-21-35-43(45(31)52-39)33-17-15-27(25-37(33)49(35)41-13-5-7-23-47-41)51-28-16-18-34-38(26-28)50(42-14-6-8-24-48-42)36-22-20-32-30-10-2-4-12-40(30)53-46(32)44(34)36;/h1-24H;/q-2;+2.

What are the key properties of platinum(2+);5-pyridin-2-yl-3-[(5-pyridin-2-yl-4H-[1]benzothiolo[2,3-g]carbazol-4-id-3-yl)oxy]-4H-[1]benzothiolo[3,2-c]carbazol-4-ide?

platinum(2+);5-pyridin-2-yl-3-[(5-pyridin-2-yl-4H-[1]benzothiolo[2,3-g]carbazol-4-id-3-yl)oxy]-4H-[1]benzothiolo[3,2-c]carbazol-4-ide has a molecular weight of 907.94 g/mol, XLogP of 12.80, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for platinum(2+);5-pyridin-2-yl-3-[(5-pyridin-2-yl-4H-[1]benzothiolo[2,3-g]carbazol-4-id-3-yl)oxy]-4H-[1]benzothiolo[3,2-c]carbazol-4-ide is sourced from PubChem (CID 153429134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).