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

C45H46N4OPt — CID 153413163

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

9-(4-methyl-2-pyridinyl)-2-[3-[4-(2,4,6-tritert-butylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153413163) 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-(2,4,6-tritert-butylphenyl)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-(2,4,6-tritert-butylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153413163
• Molecular Formula: C45H46N4OPt
• Molecular Weight: 853.97 g/mol
• Exact Mass: 853.33
• IUPAC Name: 9-(4-methyl-2-pyridinyl)-2-[3-[4-(2,4,6-tritert-butylphenyl)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)C)cc(C(C)(C)C)cc6C(C)(C)C)cn5)ccc4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C45H46N4O.Pt/c1-29-20-21-46-41(22-29)49-39-17-12-11-16-35(39)36-19-18-34(26-40(36)49)50-33-15-13-14-32(25-33)48-28-30(27-47-48)42-37(44(5,6)7)23-31(43(2,3)4)24-38(42)45(8,9)10;/h11-24,27-28H,1-10H3;/q-2;+2
• InChIKey: UKFYSENJISNYRC-UHFFFAOYSA-N
• XLogP: 11.62
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	853.97
LogP ≤ 5	11.62
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-(2,4,6-tritert-butylphenyl)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-(2,4,6-tritert-butylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (CID 153413163) is 9-(4-methyl-2-pyridinyl)-2-[3-[4-(2,4,6-tritert-butylphenyl)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-(2,4,6-tritert-butylphenyl)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-(2,4,6-tritert-butylphenyl)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)C)cc(C(C)(C)C)cc6C(C)(C)C)cn5)ccc4)ccc3c3ccccc32)c1.[Pt+2].

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

The InChIKey is UKFYSENJISNYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H46N4O.Pt/c1-29-20-21-46-41(22-29)49-39-17-12-11-16-35(39)36-19-18-34(26-40(36)49)50-33-15-13-14-32(25-33)48-28-30(27-47-48)42-37(44(5,6)7)23-31(43(2,3)4)24-38(42)45(8,9)10;/h11-24,27-28H,1-10H3;/q-2;+2.

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

9-(4-methyl-2-pyridinyl)-2-[3-[4-(2,4,6-tritert-butylphenyl)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 11.62, 5 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-(2,4,6-tritert-butylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153413163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).