2-[3-[3,5-dimethyl-4-(2,3,4,5,6-pentakis-phenylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

C65H46N4OPt — CID 153417821

About 2-[3-[3,5-dimethyl-4-(2,3,4,5,6-pentakis-phenylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

2-[3-[3,5-dimethyl-4-(2,3,4,5,6-pentakis-phenylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153417821) has the molecular formula C65H46N4OPt and a molecular weight of 1094.19 g/mol. Its IUPAC name is 2-[3-[3,5-dimethyl-4-(2,3,4,5,6-pentakis-phenylphenyl)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-[3,5-dimethyl-4-(2,3,4,5,6-pentakis-phenylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153417821
• Molecular Formula: C65H46N4OPt
• Molecular Weight: 1094.19 g/mol
• Exact Mass: 1093.33
• IUPAC Name: 2-[3-[3,5-dimethyl-4-(2,3,4,5,6-pentakis-phenylphenyl)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(-n5nc(C)c(-c6c(-c7ccccc7)c(-c7ccccc7)c(-c7ccccc7)c(-c7ccccc7)c6-c6ccccc6)c5C)ccc4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C65H46N4O.Pt/c1-43-38-39-66-58(40-43)68-56-35-20-19-34-54(56)55-37-36-53(42-57(55)68)70-52-33-21-32-51(41-52)69-45(3)59(44(2)67-69)65-63(49-28-15-7-16-29-49)61(47-24-11-5-12-25-47)60(46-22-9-4-10-23-46)62(48-26-13-6-14-27-48)64(65)50-30-17-8-18-31-50;/h4-40H,1-3H3;/q-2;+2
• InChIKey: LPOWSVMCRXZAMQ-UHFFFAOYSA-N
• XLogP: 16.68
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1094.19
LogP ≤ 5	16.68
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-[3,5-dimethyl-4-(2,3,4,5,6-pentakis-phenylphenyl)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-[3,5-dimethyl-4-(2,3,4,5,6-pentakis-phenylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153417821) is 2-[3-[3,5-dimethyl-4-(2,3,4,5,6-pentakis-phenylphenyl)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-[3,5-dimethyl-4-(2,3,4,5,6-pentakis-phenylphenyl)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-[3,5-dimethyl-4-(2,3,4,5,6-pentakis-phenylphenyl)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(-n5nc(C)c(-c6c(-c7ccccc7)c(-c7ccccc7)c(-c7ccccc7)c(-c7ccccc7)c6-c6ccccc6)c5C)ccc4)ccc3c3ccccc32)c1.[Pt+2].

What is the InChIKey of 2-[3-[3,5-dimethyl-4-(2,3,4,5,6-pentakis-phenylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is LPOWSVMCRXZAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H46N4O.Pt/c1-43-38-39-66-58(40-43)68-56-35-20-19-34-54(56)55-37-36-53(42-57(55)68)70-52-33-21-32-51(41-52)69-45(3)59(44(2)67-69)65-63(49-28-15-7-16-29-49)61(47-24-11-5-12-25-47)60(46-22-9-4-10-23-46)62(48-26-13-6-14-27-48)64(65)50-30-17-8-18-31-50;/h4-40H,1-3H3;/q-2;+2.

What are the key properties of 2-[3-[3,5-dimethyl-4-(2,3,4,5,6-pentakis-phenylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

2-[3-[3,5-dimethyl-4-(2,3,4,5,6-pentakis-phenylphenyl)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 1094.19 g/mol, XLogP of 16.68, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3,5-dimethyl-4-(2,3,4,5,6-pentakis-phenylphenyl)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 153417821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).