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

C42H40N4O2Pt — CID 153413634

About 9-(4-methoxy-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-bis(2-methylpropyl)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-bis(2-methylpropyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153413634) has the molecular formula C42H40N4O2Pt and a molecular weight of 827.89 g/mol. Its IUPAC name is 9-(4-methoxy-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-bis(2-methylpropyl)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-bis(2-methylpropyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153413634
• Molecular Formula: C42H40N4O2Pt
• Molecular Weight: 827.89 g/mol
• Exact Mass: 827.28
• IUPAC Name: 9-(4-methoxy-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-bis(2-methylpropyl)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(CC(C)C)cc(C)cc6CC(C)C)cn5)ccc4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C42H40N4O2.Pt/c1-27(2)18-30-20-29(5)21-31(19-28(3)4)42(30)32-25-44-45(26-32)33-10-9-11-35(22-33)48-36-14-15-38-37-12-7-8-13-39(37)46(40(38)23-36)41-24-34(47-6)16-17-43-41;/h7-17,20-21,24-28H,18-19H2,1-6H3;/q-2;+2
• InChIKey: CJQOKDZQNOXGNU-UHFFFAOYSA-N
• XLogP: 10.14
• TPSA: 54.10 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	827.89
LogP ≤ 5	10.14
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-bis(2-methylpropyl)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-bis(2-methylpropyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (CID 153413634) is 9-(4-methoxy-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-bis(2-methylpropyl)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-bis(2-methylpropyl)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-bis(2-methylpropyl)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(CC(C)C)cc(C)cc6CC(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-bis(2-methylpropyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is CJQOKDZQNOXGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H40N4O2.Pt/c1-27(2)18-30-20-29(5)21-31(19-28(3)4)42(30)32-25-44-45(26-32)33-10-9-11-35(22-33)48-36-14-15-38-37-12-7-8-13-39(37)46(40(38)23-36)41-24-34(47-6)16-17-43-41;/h7-17,20-21,24-28H,18-19H2,1-6H3;/q-2;+2.

What are the key properties of 9-(4-methoxy-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-bis(2-methylpropyl)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-bis(2-methylpropyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 827.89 g/mol, XLogP of 10.14, 10 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-bis(2-methylpropyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153413634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).