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

C41H38N4O2Pt — CID 153413355

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

2-[3-[4-[2,6-bis(2-methylpropyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153413355) has the molecular formula C41H38N4O2Pt and a molecular weight of 813.86 g/mol. Its IUPAC name is 2-[3-[4-[2,6-bis(2-methylpropyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[4-[2,6-bis(2-methylpropyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153413355
• Molecular Formula: C41H38N4O2Pt
• Molecular Weight: 813.86 g/mol
• Exact Mass: 813.26
• IUPAC Name: 2-[3-[4-[2,6-bis(2-methylpropyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: COc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(CC(C)C)cccc6CC(C)C)cn5)ccc4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C41H38N4O2.Pt/c1-27(2)20-29-10-8-11-30(21-28(3)4)41(29)31-25-43-44(26-31)32-12-9-13-34(22-32)47-35-16-17-37-36-14-6-7-15-38(36)45(39(37)23-35)40-24-33(46-5)18-19-42-40;/h6-19,24-28H,20-21H2,1-5H3;/q-2;+2
• InChIKey: TWEIHNOLVUTLFC-UHFFFAOYSA-N
• XLogP: 9.83
• TPSA: 54.10 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	813.86
LogP ≤ 5	9.83
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 2-[3-[4-[2,6-bis(2-methylpropyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[4-[2,6-bis(2-methylpropyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153413355) is 2-[3-[4-[2,6-bis(2-methylpropyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-[4-[2,6-bis(2-methylpropyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is COc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(CC(C)C)cccc6CC(C)C)cn5)ccc4)ccc3c3ccccc32)c1.[Pt+2].

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

The InChIKey is TWEIHNOLVUTLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H38N4O2.Pt/c1-27(2)20-29-10-8-11-30(21-28(3)4)41(29)31-25-43-44(26-31)32-12-9-13-34(22-32)47-35-16-17-37-36-14-6-7-15-38(36)45(39(37)23-35)40-24-33(46-5)18-19-42-40;/h6-19,24-28H,20-21H2,1-5H3;/q-2;+2.

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

2-[3-[4-[2,6-bis(2-methylpropyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 813.86 g/mol, XLogP of 9.83, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-[2,6-bis(2-methylpropyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153413355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).