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

C41H29N4OPtS-3 — CID 176783160

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

platinum;12-pyridin-2-yl-10-[3-[3-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-11H-[1]benzothiolo[3,2-a]carbazol-11-ide (PubChem CID 176783160) has the molecular formula C41H29N4OPtS-3 and a molecular weight of 820.86 g/mol. Its IUPAC name is platinum;12-pyridin-2-yl-10-[3-[3-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-11H-[1]benzothiolo[3,2-a]carbazol-11-ide.

Molecular Properties

• Compound Name: platinum;12-pyridin-2-yl-10-[3-[3-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-11H-[1]benzothiolo[3,2-a]carbazol-11-ide
• PubChem CID: 176783160
• Molecular Formula: C41H29N4OPtS-3
• Molecular Weight: 820.86 g/mol
• Exact Mass: 820.17
• IUPAC Name: platinum;12-pyridin-2-yl-10-[3-[3-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-11H-[1]benzothiolo[3,2-a]carbazol-11-ide
• SMILES: Cc1cc(C)c(N2C=CN(c3[c-]c(Oc4[c-]c5c(cc4)c4ccc6sc7ccccc7c6c4n5-c4ccccn4)ccc3)[CH-]2)c(C)c1.[Pt]
• InChI: InChI=1S/C41H29N4OS.Pt/c1-26-21-27(2)40(28(3)22-26)44-20-19-43(25-44)29-9-8-10-30(23-29)46-31-14-15-32-33-16-17-37-39(34-11-4-5-12-36(34)47-37)41(33)45(35(32)24-31)38-13-6-7-18-42-38;/h4-22,25H,1-3H3;/q-3
• InChIKey: XSBXQNHZIMSGGV-UHFFFAOYSA-N
• XLogP: 10.78
• TPSA: 33.53 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	820.86
LogP ≤ 5	10.78
H-Bond Donors ≤ 5	0
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 platinum;12-pyridin-2-yl-10-[3-[3-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-11H-[1]benzothiolo[3,2-a]carbazol-11-ide?

The IUPAC name of platinum;12-pyridin-2-yl-10-[3-[3-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-11H-[1]benzothiolo[3,2-a]carbazol-11-ide (CID 176783160) is platinum;12-pyridin-2-yl-10-[3-[3-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-11H-[1]benzothiolo[3,2-a]carbazol-11-ide.

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

The canonical SMILES for platinum;12-pyridin-2-yl-10-[3-[3-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-11H-[1]benzothiolo[3,2-a]carbazol-11-ide is Cc1cc(C)c(N2C=CN(c3[c-]c(Oc4[c-]c5c(cc4)c4ccc6sc7ccccc7c6c4n5-c4ccccn4)ccc3)[CH-]2)c(C)c1.[Pt].

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

The InChIKey is XSBXQNHZIMSGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N4OS.Pt/c1-26-21-27(2)40(28(3)22-26)44-20-19-43(25-44)29-9-8-10-30(23-29)46-31-14-15-32-33-16-17-37-39(34-11-4-5-12-36(34)47-37)41(33)45(35(32)24-31)38-13-6-7-18-42-38;/h4-22,25H,1-3H3;/q-3;.

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

platinum;12-pyridin-2-yl-10-[3-[3-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-11H-[1]benzothiolo[3,2-a]carbazol-11-ide has a molecular weight of 820.86 g/mol, XLogP of 10.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for platinum;12-pyridin-2-yl-10-[3-[3-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-11H-[1]benzothiolo[3,2-a]carbazol-11-ide is sourced from PubChem (CID 176783160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).