platinum(2+);9-[2-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazol-3-yl]pyrido[3,4-b]indole

C37H22N6OPt — CID 140731254

About platinum(2+);9-[2-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazol-3-yl]pyrido[3,4-b]indole

platinum(2+);9-[2-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazol-3-yl]pyrido[3,4-b]indole (PubChem CID 140731254) has the molecular formula C37H22N6OPt and a molecular weight of 761.70 g/mol. Its IUPAC name is platinum(2+);9-[2-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazol-3-yl]pyrido[3,4-b]indole.

Molecular Properties

• Compound Name: platinum(2+);9-[2-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazol-3-yl]pyrido[3,4-b]indole
• PubChem CID: 140731254
• Molecular Formula: C37H22N6OPt
• Molecular Weight: 761.70 g/mol
• Exact Mass: 761.15
• IUPAC Name: platinum(2+);9-[2-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazol-3-yl]pyrido[3,4-b]indole
• SMILES: [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1-n1nccc1-n1c2ccccc2c2ccncc21
• InChI: InChI=1S/C37H22N6O.Pt/c1-3-12-32-28(10-1)30-16-15-27(23-34(30)41(32)36-14-5-6-19-39-36)44-26-9-7-8-25(22-26)43-37(18-21-40-43)42-33-13-4-2-11-29(33)31-17-20-38-24-35(31)42;/h1-21,24H;/q-2;+2
• InChIKey: WJWJDMWAFYSOFO-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-[2-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazol-3-yl]pyrido[3,4-b]indole?

The IUPAC name of platinum(2+);9-[2-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazol-3-yl]pyrido[3,4-b]indole (CID 140731254) is platinum(2+);9-[2-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazol-3-yl]pyrido[3,4-b]indole.

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

The canonical SMILES for platinum(2+);9-[2-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazol-3-yl]pyrido[3,4-b]indole is [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1-n1nccc1-n1c2ccccc2c2ccncc21.

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

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

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

platinum(2+);9-[2-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazol-3-yl]pyrido[3,4-b]indole 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-[2-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrazol-3-yl]pyrido[3,4-b]indole is sourced from PubChem (CID 140731254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).