2-[3-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)

C45H46N4OPt — CID 153413179

About 2-[3-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)

2-[3-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153413179) has the molecular formula C45H46N4OPt and a molecular weight of 853.97 g/mol. Its IUPAC name is 2-[3-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153413179
• Molecular Formula: C45H46N4OPt
• Molecular Weight: 853.97 g/mol
• Exact Mass: 853.33
• IUPAC Name: 2-[3-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
• SMILES: CC(C)Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(C(C)C)cccc6C(C)C)cn5)cc(C(C)C)c4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C45H46N4O.Pt/c1-28(2)20-32-18-19-46-44(21-32)49-42-15-10-9-12-40(42)41-17-16-36(25-43(41)49)50-37-23-33(29(3)4)22-35(24-37)48-27-34(26-47-48)45-38(30(5)6)13-11-14-39(45)31(7)8;/h9-19,21-23,26-31H,20H2,1-8H3;/q-2;+2
• InChIKey: DYAJNWDQNLTZIK-UHFFFAOYSA-N
• XLogP: 11.99
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	853.97
LogP ≤ 5	11.99
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 2-[3-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (CID 153413179) is 2-[3-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-[3-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-[3-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) is CC(C)Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(C(C)C)cccc6C(C)C)cn5)cc(C(C)C)c4)ccc3c3ccccc32)c1.[Pt+2].

What is the InChIKey of 2-[3-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is DYAJNWDQNLTZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H46N4O.Pt/c1-28(2)20-32-18-19-46-44(21-32)49-42-15-10-9-12-40(42)41-17-16-36(25-43(41)49)50-37-23-33(29(3)4)22-35(24-37)48-27-34(26-47-48)45-38(30(5)6)13-11-14-39(45)31(7)8;/h9-19,21-23,26-31H,20H2,1-8H3;/q-2;+2.

What are the key properties of 2-[3-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

2-[3-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 853.97 g/mol, XLogP of 11.99, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153413179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).