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

C45H46N4OPt — CID 153413427

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

9-(4-methyl-2-pyridinyl)-2-[3-[4-[2,3,4,6-tetra(propan-2-yl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153413427) has the molecular formula C45H46N4OPt and a molecular weight of 853.97 g/mol. Its IUPAC name is 9-(4-methyl-2-pyridinyl)-2-[3-[4-[2,3,4,6-tetra(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-methyl-2-pyridinyl)-2-[3-[4-[2,3,4,6-tetra(propan-2-yl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153413427
• Molecular Formula: C45H46N4OPt
• Molecular Weight: 853.97 g/mol
• Exact Mass: 853.33
• IUPAC Name: 9-(4-methyl-2-pyridinyl)-2-[3-[4-[2,3,4,6-tetra(propan-2-yl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(C(C)C)cc(C(C)C)c(C(C)C)c6C(C)C)cn5)ccc4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C45H46N4O.Pt/c1-27(2)38-24-39(28(3)4)45(44(30(7)8)43(38)29(5)6)32-25-47-48(26-32)33-13-12-14-34(22-33)50-35-17-18-37-36-15-10-11-16-40(36)49(41(37)23-35)42-21-31(9)19-20-46-42;/h10-21,24-30H,1-9H3;/q-2;+2
• InChIKey: HEASQTIOJNYUJP-UHFFFAOYSA-N
• XLogP: 12.22
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	853.97
LogP ≤ 5	12.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(4-methyl-2-pyridinyl)-2-[3-[4-[2,3,4,6-tetra(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-methyl-2-pyridinyl)-2-[3-[4-[2,3,4,6-tetra(propan-2-yl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (CID 153413427) is 9-(4-methyl-2-pyridinyl)-2-[3-[4-[2,3,4,6-tetra(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-methyl-2-pyridinyl)-2-[3-[4-[2,3,4,6-tetra(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-methyl-2-pyridinyl)-2-[3-[4-[2,3,4,6-tetra(propan-2-yl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(C(C)C)cc(C(C)C)c(C(C)C)c6C(C)C)cn5)ccc4)ccc3c3ccccc32)c1.[Pt+2].

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

The InChIKey is HEASQTIOJNYUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H46N4O.Pt/c1-27(2)38-24-39(28(3)4)45(44(30(7)8)43(38)29(5)6)32-25-47-48(26-32)33-13-12-14-34(22-33)50-35-17-18-37-36-15-10-11-16-40(36)49(41(37)23-35)42-21-31(9)19-20-46-42;/h10-21,24-30H,1-9H3;/q-2;+2.

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

9-(4-methyl-2-pyridinyl)-2-[3-[4-[2,3,4,6-tetra(propan-2-yl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 853.97 g/mol, XLogP of 12.22, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-methyl-2-pyridinyl)-2-[3-[4-[2,3,4,6-tetra(propan-2-yl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153413427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).