9-(4-methoxy-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)

C40H36N4O2Pt — CID 153412821

About 9-(4-methoxy-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)

9-(4-methoxy-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153412821) has the molecular formula C40H36N4O2Pt and a molecular weight of 799.83 g/mol. Its IUPAC name is 9-(4-methoxy-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-methoxy-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153412821
• Molecular Formula: C40H36N4O2Pt
• Molecular Weight: 799.83 g/mol
• Exact Mass: 799.25
• IUPAC Name: 9-(4-methoxy-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• SMILES: COc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(C(C)C)cc(C)cc6C(C)C)cn5)ccc4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C40H36N4O2.Pt/c1-25(2)35-18-27(5)19-36(26(3)4)40(35)28-23-42-43(24-28)29-10-9-11-31(20-29)46-32-14-15-34-33-12-7-8-13-37(33)44(38(34)21-32)39-22-30(45-6)16-17-41-39;/h7-19,22-26H,1-6H3;/q-2;+2
• InChIKey: UINPPHHWQAKXOA-UHFFFAOYSA-N
• XLogP: 9.99
• TPSA: 54.10 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	799.83
LogP ≤ 5	9.99
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 9-(4-methoxy-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(4-methoxy-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (CID 153412821) is 9-(4-methoxy-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 9-(4-methoxy-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 9-(4-methoxy-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is COc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(C(C)C)cc(C)cc6C(C)C)cn5)ccc4)ccc3c3ccccc32)c1.[Pt+2].

What is the InChIKey of 9-(4-methoxy-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is UINPPHHWQAKXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36N4O2.Pt/c1-25(2)35-18-27(5)19-36(26(3)4)40(35)28-23-42-43(24-28)29-10-9-11-31(20-29)46-32-14-15-34-33-12-7-8-13-37(33)44(38(34)21-32)39-22-30(45-6)16-17-41-39;/h7-19,22-26H,1-6H3;/q-2;+2.

What are the key properties of 9-(4-methoxy-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

9-(4-methoxy-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 799.83 g/mol, XLogP of 9.99, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-methoxy-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153412821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).