2-[3-[3-(4-tert-butyl-2-phenylphenyl)-3H-indazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

C50H43N4OPt-3 — CID 167415536

About 2-[3-[3-(4-tert-butyl-2-phenylphenyl)-3H-indazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

2-[3-[3-(4-tert-butyl-2-phenylphenyl)-3H-indazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 167415536) has the molecular formula C50H43N4OPt-3 and a molecular weight of 911.00 g/mol. Its IUPAC name is 2-[3-[3-(4-tert-butyl-2-phenylphenyl)-3H-indazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-(4-tert-butyl-2-phenylphenyl)-3H-indazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 167415536
• Molecular Formula: C50H43N4OPt-3
• Molecular Weight: 911.00 g/mol
• Exact Mass: 910.31
• IUPAC Name: 2-[3-[3-(4-tert-butyl-2-phenylphenyl)-3H-indazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[N-]C(c6ccc(C(C)(C)C)cc6-c6ccccc6)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C50H43N4O.Pt/c1-49(2,3)34-23-25-41(43(29-34)33-15-8-7-9-16-33)48-42-20-11-13-22-45(42)54(52-48)36-17-14-18-37(31-36)55-38-24-26-40-39-19-10-12-21-44(39)53(46(40)32-38)47-30-35(27-28-51-47)50(4,5)6;/h7-30,48H,1-6H3;/q-3
• InChIKey: ZUVXCUKUOQYFOK-UHFFFAOYSA-N
• XLogP: 13.36
• TPSA: 44.39 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	911.00
LogP ≤ 5	13.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-(4-tert-butyl-2-phenylphenyl)-3H-indazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-(4-tert-butyl-2-phenylphenyl)-3H-indazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 167415536) is 2-[3-[3-(4-tert-butyl-2-phenylphenyl)-3H-indazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-[3-(4-tert-butyl-2-phenylphenyl)-3H-indazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[3-(4-tert-butyl-2-phenylphenyl)-3H-indazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[N-]C(c6ccc(C(C)(C)C)cc6-c6ccccc6)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt].

What is the InChIKey of 2-[3-[3-(4-tert-butyl-2-phenylphenyl)-3H-indazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The InChIKey is ZUVXCUKUOQYFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H43N4O.Pt/c1-49(2,3)34-23-25-41(43(29-34)33-15-8-7-9-16-33)48-42-20-11-13-22-45(42)54(52-48)36-17-14-18-37(31-36)55-38-24-26-40-39-19-10-12-21-44(39)53(46(40)32-38)47-30-35(27-28-51-47)50(4,5)6;/h7-30,48H,1-6H3;/q-3;.

What are the key properties of 2-[3-[3-(4-tert-butyl-2-phenylphenyl)-3H-indazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

2-[3-[3-(4-tert-butyl-2-phenylphenyl)-3H-indazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 911.00 g/mol, XLogP of 13.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(4-tert-butyl-2-phenylphenyl)-3H-indazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 167415536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).