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

C45H30N4O3Pt — CID 153412863

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

2-[3-[4-(2,6-diphenoxyphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153412863) has the molecular formula C45H30N4O3Pt and a molecular weight of 869.84 g/mol. Its IUPAC name is 2-[3-[4-(2,6-diphenoxyphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[4-(2,6-diphenoxyphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153412863
• Molecular Formula: C45H30N4O3Pt
• Molecular Weight: 869.84 g/mol
• Exact Mass: 869.20
• IUPAC Name: 2-[3-[4-(2,6-diphenoxyphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(Oc7ccccc7)cccc6Oc6ccccc6)cn5)ccc4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C45H30N4O3.Pt/c1-31-24-25-46-44(26-31)49-40-19-9-8-18-38(40)39-23-22-37(28-41(39)49)50-36-17-10-12-33(27-36)48-30-32(29-47-48)45-42(51-34-13-4-2-5-14-34)20-11-21-43(45)52-35-15-6-3-7-16-35;/h2-26,29-30H,1H3;/q-2;+2
• InChIKey: ULDPTVOXGQPOIG-UHFFFAOYSA-N
• XLogP: 11.31
• TPSA: 63.33 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	869.84
LogP ≤ 5	11.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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-diphenoxyphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[4-(2,6-diphenoxyphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153412863) is 2-[3-[4-(2,6-diphenoxyphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-[4-(2,6-diphenoxyphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(Oc7ccccc7)cccc6Oc6ccccc6)cn5)ccc4)ccc3c3ccccc32)c1.[Pt+2].

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

The InChIKey is ULDPTVOXGQPOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N4O3.Pt/c1-31-24-25-46-44(26-31)49-40-19-9-8-18-38(40)39-23-22-37(28-41(39)49)50-36-17-10-12-33(27-36)48-30-32(29-47-48)45-42(51-34-13-4-2-5-14-34)20-11-21-43(45)52-35-15-6-3-7-16-35;/h2-26,29-30H,1H3;/q-2;+2.

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

2-[3-[4-(2,6-diphenoxyphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 869.84 g/mol, XLogP of 11.31, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-(2,6-diphenoxyphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153412863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).