platinum(2+);12-pyridin-2-yl-10-[[3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-11H-[1]benzothiolo[3,2-a]carbazol-11-ide

C47H30N4OPtS — CID 140953772

About platinum(2+);12-pyridin-2-yl-10-[[3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-11H-[1]benzothiolo[3,2-a]carbazol-11-ide

platinum(2+);12-pyridin-2-yl-10-[[3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-11H-[1]benzothiolo[3,2-a]carbazol-11-ide (PubChem CID 140953772) has the molecular formula C47H30N4OPtS and a molecular weight of 893.93 g/mol. Its IUPAC name is platinum(2+);12-pyridin-2-yl-10-[[3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-11H-[1]benzothiolo[3,2-a]carbazol-11-ide.

Molecular Properties

• Compound Name: platinum(2+);12-pyridin-2-yl-10-[[3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-11H-[1]benzothiolo[3,2-a]carbazol-11-ide
• PubChem CID: 140953772
• Molecular Formula: C47H30N4OPtS
• Molecular Weight: 893.93 g/mol
• Exact Mass: 893.18
• IUPAC Name: platinum(2+);12-pyridin-2-yl-10-[[3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-11H-[1]benzothiolo[3,2-a]carbazol-11-ide
• SMILES: Cc1cc(C)c(-c2cnc3c4[c-]c(Oc5[c-]c6c(cc5)c5ccc7sc8ccccc8c7c5n6-c5ccccn5)ccc4c4ccccc4n23)c(C)c1.[Pt+2]
• InChI: InChI=1S/C47H30N4OS.Pt/c1-27-22-28(2)44(29(3)23-27)40-26-49-47-37-24-30(15-17-32(37)33-10-4-6-12-38(33)50(40)47)52-31-16-18-34-35-19-20-42-45(36-11-5-7-13-41(36)53-42)46(35)51(39(34)25-31)43-14-8-9-21-48-43;/h4-23,26H,1-3H3;/q-2;+2
• InChIKey: JOAXIVWZFJWYFC-UHFFFAOYSA-N
• XLogP: 12.48
• TPSA: 44.35 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	893.93
LogP ≤ 5	12.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of platinum(2+);12-pyridin-2-yl-10-[[3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-11H-[1]benzothiolo[3,2-a]carbazol-11-ide?

The IUPAC name of platinum(2+);12-pyridin-2-yl-10-[[3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-11H-[1]benzothiolo[3,2-a]carbazol-11-ide (CID 140953772) is platinum(2+);12-pyridin-2-yl-10-[[3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-11H-[1]benzothiolo[3,2-a]carbazol-11-ide.

What is the SMILES notation for platinum(2+);12-pyridin-2-yl-10-[[3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-11H-[1]benzothiolo[3,2-a]carbazol-11-ide?

The canonical SMILES for platinum(2+);12-pyridin-2-yl-10-[[3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-11H-[1]benzothiolo[3,2-a]carbazol-11-ide is Cc1cc(C)c(-c2cnc3c4[c-]c(Oc5[c-]c6c(cc5)c5ccc7sc8ccccc8c7c5n6-c5ccccn5)ccc4c4ccccc4n23)c(C)c1.[Pt+2].

What is the InChIKey of platinum(2+);12-pyridin-2-yl-10-[[3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-11H-[1]benzothiolo[3,2-a]carbazol-11-ide?

The InChIKey is JOAXIVWZFJWYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N4OS.Pt/c1-27-22-28(2)44(29(3)23-27)40-26-49-47-37-24-30(15-17-32(37)33-10-4-6-12-38(33)50(40)47)52-31-16-18-34-35-19-20-42-45(36-11-5-7-13-41(36)53-42)46(35)51(39(34)25-31)43-14-8-9-21-48-43;/h4-23,26H,1-3H3;/q-2;+2.

What are the key properties of platinum(2+);12-pyridin-2-yl-10-[[3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-11H-[1]benzothiolo[3,2-a]carbazol-11-ide?

platinum(2+);12-pyridin-2-yl-10-[[3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-11H-[1]benzothiolo[3,2-a]carbazol-11-ide has a molecular weight of 893.93 g/mol, XLogP of 12.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for platinum(2+);12-pyridin-2-yl-10-[[3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-11H-[1]benzothiolo[3,2-a]carbazol-11-ide is sourced from PubChem (CID 140953772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).