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

C49H38N4O3Pt — CID 153412877

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(4-methyl-2,6-diphenoxyphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153412877) has the molecular formula C49H38N4O3Pt and a molecular weight of 925.95 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(4-methyl-2,6-diphenoxyphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(4-methyl-2,6-diphenoxyphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153412877
• Molecular Formula: C49H38N4O3Pt
• Molecular Weight: 925.95 g/mol
• Exact Mass: 925.26
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(4-methyl-2,6-diphenoxyphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1cc(Oc2ccccc2)c(-c2cnn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c2)c(Oc2ccccc2)c1.[Pt+2]
• InChI: InChI=1S/C49H38N4O3.Pt/c1-33-26-45(55-37-15-7-5-8-16-37)48(46(27-33)56-38-17-9-6-10-18-38)34-31-51-52(32-34)36-14-13-19-39(29-36)54-40-22-23-42-41-20-11-12-21-43(41)53(44(42)30-40)47-28-35(24-25-50-47)49(2,3)4;/h5-28,31-32H,1-4H3;/q-2;+2
• InChIKey: HHAYUUIVBVCYGS-UHFFFAOYSA-N
• XLogP: 12.61
• TPSA: 63.33 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	925.95
LogP ≤ 5	12.61
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 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(4-methyl-2,6-diphenoxyphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(4-methyl-2,6-diphenoxyphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (CID 153412877) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(4-methyl-2,6-diphenoxyphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(4-methyl-2,6-diphenoxyphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is Cc1cc(Oc2ccccc2)c(-c2cnn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c2)c(Oc2ccccc2)c1.[Pt+2].

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

The InChIKey is HHAYUUIVBVCYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H38N4O3.Pt/c1-33-26-45(55-37-15-7-5-8-16-37)48(46(27-33)56-38-17-9-6-10-18-38)34-31-51-52(32-34)36-14-13-19-39(29-36)54-40-22-23-42-41-20-11-12-21-43(41)53(44(42)30-40)47-28-35(24-25-50-47)49(2,3)4;/h5-28,31-32H,1-4H3;/q-2;+2.

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(4-methyl-2,6-diphenoxyphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 925.95 g/mol, XLogP of 12.61, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(4-methyl-2,6-diphenoxyphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153412877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).