9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(4-methylheptan-2-yl)-1H-carbazol-1-ide;platinum(2+)

C46H48N4OPt — CID 153441015

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(4-methylheptan-2-yl)-1H-carbazol-1-ide;platinum(2+)

9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(4-methylheptan-2-yl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153441015) has the molecular formula C46H48N4OPt and a molecular weight of 867.99 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(4-methylheptan-2-yl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(4-methylheptan-2-yl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153441015
• Molecular Formula: C46H48N4OPt
• Molecular Weight: 867.99 g/mol
• Exact Mass: 867.35
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(4-methylheptan-2-yl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCCC(C)CC(C)c1ccc2c(c1)c1ccc(Oc3[c-]c(-n4nc(C)c(-c5ccccc5)c4C)ccc3)[c-]c1n2-c1cc(C(C)(C)C)ccn1.[Pt+2]
• InChI: InChI=1S/C46H48N4O.Pt/c1-9-14-30(2)25-31(3)35-19-22-42-41(26-35)40-21-20-39(29-43(40)49(42)44-27-36(23-24-47-44)46(6,7)8)51-38-18-13-17-37(28-38)50-33(5)45(32(4)48-50)34-15-11-10-12-16-34;/h10-13,15-24,26-27,30-31H,9,14,25H2,1-8H3;/q-2;+2
• InChIKey: FWCIODOVCWLTHG-UHFFFAOYSA-N
• XLogP: 12.27
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	867.99
LogP ≤ 5	12.27
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 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(4-methylheptan-2-yl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(4-methylheptan-2-yl)-1H-carbazol-1-ide;platinum(2+) (CID 153441015) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(4-methylheptan-2-yl)-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(4-methylheptan-2-yl)-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(4-methylheptan-2-yl)-1H-carbazol-1-ide;platinum(2+) is CCCC(C)CC(C)c1ccc2c(c1)c1ccc(Oc3[c-]c(-n4nc(C)c(-c5ccccc5)c4C)ccc3)[c-]c1n2-c1cc(C(C)(C)C)ccn1.[Pt+2].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(4-methylheptan-2-yl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is FWCIODOVCWLTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H48N4O.Pt/c1-9-14-30(2)25-31(3)35-19-22-42-41(26-35)40-21-20-39(29-43(40)49(42)44-27-36(23-24-47-44)46(6,7)8)51-38-18-13-17-37(28-38)50-33(5)45(32(4)48-50)34-15-11-10-12-16-34;/h10-13,15-24,26-27,30-31H,9,14,25H2,1-8H3;/q-2;+2.

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(4-methylheptan-2-yl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 867.99 g/mol, XLogP of 12.27, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(4-methylheptan-2-yl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153441015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).