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

C53H62N4OPt — CID 153413301

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

9-(4-methyl-2-pyridinyl)-2-[3-[4-(2,3,4,5,6-pentatert-butylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153413301) has the molecular formula C53H62N4OPt and a molecular weight of 966.18 g/mol. Its IUPAC name is 9-(4-methyl-2-pyridinyl)-2-[3-[4-(2,3,4,5,6-pentatert-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-(2,3,4,5,6-pentatert-butylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153413301
• Molecular Formula: C53H62N4OPt
• Molecular Weight: 966.18 g/mol
• Exact Mass: 965.46
• IUPAC Name: 9-(4-methyl-2-pyridinyl)-2-[3-[4-(2,3,4,5,6-pentatert-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)c(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c6C(C)(C)C)cn5)ccc4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C53H62N4O.Pt/c1-33-26-27-54-42(28-33)57-40-23-18-17-22-38(40)39-25-24-37(30-41(39)57)58-36-21-19-20-35(29-36)56-32-34(31-55-56)43-44(49(2,3)4)46(51(8,9)10)48(53(14,15)16)47(52(11,12)13)45(43)50(5,6)7;/h17-28,31-32H,1-16H3;/q-2;+2
• InChIKey: ZYLANBKXQNXRHR-UHFFFAOYSA-N
• XLogP: 14.22
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	966.18
LogP ≤ 5	14.22
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-(2,3,4,5,6-pentatert-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-(2,3,4,5,6-pentatert-butylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (CID 153413301) is 9-(4-methyl-2-pyridinyl)-2-[3-[4-(2,3,4,5,6-pentatert-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-(2,3,4,5,6-pentatert-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-(2,3,4,5,6-pentatert-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)c(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c6C(C)(C)C)cn5)ccc4)ccc3c3ccccc32)c1.[Pt+2].

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

The InChIKey is ZYLANBKXQNXRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H62N4O.Pt/c1-33-26-27-54-42(28-33)57-40-23-18-17-22-38(40)39-25-24-37(30-41(39)57)58-36-21-19-20-35(29-36)56-32-34(31-55-56)43-44(49(2,3)4)46(51(8,9)10)48(53(14,15)16)47(52(11,12)13)45(43)50(5,6)7;/h17-28,31-32H,1-16H3;/q-2;+2.

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

9-(4-methyl-2-pyridinyl)-2-[3-[4-(2,3,4,5,6-pentatert-butylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 966.18 g/mol, XLogP of 14.22, 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-(2,3,4,5,6-pentatert-butylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153413301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).