platinum(2+);9-pyridin-2-yl-2-[3-(4-pyridin-2-ylpyrazolo[4,5-b]indol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide

C37H22N6OPt — CID 140730030

About platinum(2+);9-pyridin-2-yl-2-[3-(4-pyridin-2-ylpyrazolo[4,5-b]indol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide

platinum(2+);9-pyridin-2-yl-2-[3-(4-pyridin-2-ylpyrazolo[4,5-b]indol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide (PubChem CID 140730030) has the molecular formula C37H22N6OPt and a molecular weight of 761.70 g/mol. Its IUPAC name is platinum(2+);9-pyridin-2-yl-2-[3-(4-pyridin-2-ylpyrazolo[4,5-b]indol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide.

Molecular Properties

• Compound Name: platinum(2+);9-pyridin-2-yl-2-[3-(4-pyridin-2-ylpyrazolo[4,5-b]indol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide
• PubChem CID: 140730030
• Molecular Formula: C37H22N6OPt
• Molecular Weight: 761.70 g/mol
• Exact Mass: 761.15
• IUPAC Name: platinum(2+);9-pyridin-2-yl-2-[3-(4-pyridin-2-ylpyrazolo[4,5-b]indol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide
• SMILES: [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1-n1ncc2c1c1ccccc1n2-c1ccccn1
• InChI: InChI=1S/C37H22N6O.Pt/c1-3-14-31-28(12-1)29-19-18-27(23-33(29)41(31)35-16-5-7-20-38-35)44-26-11-9-10-25(22-26)43-37-30-13-2-4-15-32(30)42(34(37)24-40-43)36-17-6-8-21-39-36;/h1-21,24H;/q-2;+2
• InChIKey: IEJIAMZUASSWHI-UHFFFAOYSA-N
• XLogP: 8.25
• TPSA: 62.69 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	761.70
LogP ≤ 5	8.25
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+);9-pyridin-2-yl-2-[3-(4-pyridin-2-ylpyrazolo[4,5-b]indol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide?

The IUPAC name of platinum(2+);9-pyridin-2-yl-2-[3-(4-pyridin-2-ylpyrazolo[4,5-b]indol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide (CID 140730030) is platinum(2+);9-pyridin-2-yl-2-[3-(4-pyridin-2-ylpyrazolo[4,5-b]indol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide.

What is the SMILES notation for platinum(2+);9-pyridin-2-yl-2-[3-(4-pyridin-2-ylpyrazolo[4,5-b]indol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide?

The canonical SMILES for platinum(2+);9-pyridin-2-yl-2-[3-(4-pyridin-2-ylpyrazolo[4,5-b]indol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide is [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1-n1ncc2c1c1ccccc1n2-c1ccccn1.

What is the InChIKey of platinum(2+);9-pyridin-2-yl-2-[3-(4-pyridin-2-ylpyrazolo[4,5-b]indol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide?

The InChIKey is IEJIAMZUASSWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22N6O.Pt/c1-3-14-31-28(12-1)29-19-18-27(23-33(29)41(31)35-16-5-7-20-38-35)44-26-11-9-10-25(22-26)43-37-30-13-2-4-15-32(30)42(34(37)24-40-43)36-17-6-8-21-39-36;/h1-21,24H;/q-2;+2.

What are the key properties of platinum(2+);9-pyridin-2-yl-2-[3-(4-pyridin-2-ylpyrazolo[4,5-b]indol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide?

platinum(2+);9-pyridin-2-yl-2-[3-(4-pyridin-2-ylpyrazolo[4,5-b]indol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide has a molecular weight of 761.70 g/mol, XLogP of 8.25, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for platinum(2+);9-pyridin-2-yl-2-[3-(4-pyridin-2-ylpyrazolo[4,5-b]indol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide is sourced from PubChem (CID 140730030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).