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

C43H42N4OPt — CID 153415624

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

2-[3-[4-(4-tert-butylphenyl)-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153415624) has the molecular formula C43H42N4OPt and a molecular weight of 825.91 g/mol. Its IUPAC name is 2-[3-[4-(4-tert-butylphenyl)-3,5-di(propan-2-yl)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-(4-tert-butylphenyl)-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153415624
• Molecular Formula: C43H42N4OPt
• Molecular Weight: 825.91 g/mol
• Exact Mass: 825.30
• IUPAC Name: 2-[3-[4-(4-tert-butylphenyl)-3,5-di(propan-2-yl)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)C)c(-c6ccc(C(C)(C)C)cc6)c5C(C)C)ccc4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C43H42N4O.Pt/c1-27(2)41-40(30-16-18-31(19-17-30)43(6,7)8)42(28(3)4)47(45-41)32-12-11-13-33(25-32)48-34-20-21-36-35-14-9-10-15-37(35)46(38(36)26-34)39-24-29(5)22-23-44-39;/h9-24,27-28H,1-8H3;/q-2;+2
• InChIKey: VTZRRRYEGNJSLP-UHFFFAOYSA-N
• XLogP: 11.27
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	825.91
LogP ≤ 5	11.27
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-[4-(4-tert-butylphenyl)-3,5-di(propan-2-yl)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-(4-tert-butylphenyl)-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153415624) is 2-[3-[4-(4-tert-butylphenyl)-3,5-di(propan-2-yl)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-(4-tert-butylphenyl)-3,5-di(propan-2-yl)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-(4-tert-butylphenyl)-3,5-di(propan-2-yl)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)C)c(-c6ccc(C(C)(C)C)cc6)c5C(C)C)ccc4)ccc3c3ccccc32)c1.[Pt+2].

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

The InChIKey is VTZRRRYEGNJSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H42N4O.Pt/c1-27(2)41-40(30-16-18-31(19-17-30)43(6,7)8)42(28(3)4)47(45-41)32-12-11-13-33(25-32)48-34-20-21-36-35-14-9-10-15-37(35)46(38(36)26-34)39-24-29(5)22-23-44-39;/h9-24,27-28H,1-8H3;/q-2;+2.

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

2-[3-[4-(4-tert-butylphenyl)-3,5-di(propan-2-yl)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 825.91 g/mol, XLogP of 11.27, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-(4-tert-butylphenyl)-3,5-di(propan-2-yl)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 153415624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).