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

C46H48N4OPt — CID 153441275

About 6-butan-2-yl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)

6-butan-2-yl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153441275) has the molecular formula C46H48N4OPt and a molecular weight of 868.00 g/mol. Its IUPAC name is 6-butan-2-yl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 6-butan-2-yl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153441275
• Molecular Formula: C46H48N4OPt
• Molecular Weight: 868.00 g/mol
• Exact Mass: 867.35
• IUPAC Name: 6-butan-2-yl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCC(C)c1ccc2c(c1)c1ccc(Oc3[c-]c(-n4nc(C(C)C)c(-c5ccccc5)c4C(C)C)ccc3)[c-]c1n2-c1cc(C(C)(C)C)ccn1.[Pt+2]
• InChI: InChI=1S/C46H48N4O.Pt/c1-10-31(6)33-19-22-40-39(25-33)38-21-20-37(28-41(38)49(40)42-26-34(23-24-47-42)46(7,8)9)51-36-18-14-17-35(27-36)50-45(30(4)5)43(44(48-50)29(2)3)32-15-12-11-13-16-32;/h11-26,29-31H,10H2,1-9H3;/q-2;+2
• InChIKey: YLLIKTIYOVMVOL-UHFFFAOYSA-N
• XLogP: 12.48
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	868.00
LogP ≤ 5	12.48
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 6-butan-2-yl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 6-butan-2-yl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (CID 153441275) is 6-butan-2-yl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

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

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

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

The InChIKey is YLLIKTIYOVMVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H48N4O.Pt/c1-10-31(6)33-19-22-40-39(25-33)38-21-20-37(28-41(38)49(40)42-26-34(23-24-47-42)46(7,8)9)51-36-18-14-17-35(27-36)50-45(30(4)5)43(44(48-50)29(2)3)32-15-12-11-13-16-32;/h11-26,29-31H,10H2,1-9H3;/q-2;+2.

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

6-butan-2-yl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 868.00 g/mol, XLogP of 12.48, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-butan-2-yl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153441275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).