9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum

C47H51N4Pt-3 — CID 155652115

About 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum

9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum (PubChem CID 155652115) has the molecular formula C47H51N4Pt-3 and a molecular weight of 867.03 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum
• PubChem CID: 155652115
• Molecular Formula: C47H51N4Pt-3
• Molecular Weight: 867.03 g/mol
• Exact Mass: 866.38
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1cc(N2C=CN(c3[c-]c(C(C)(C)c4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)[CH-]2)cc(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C47H51N4.Pt/c1-44(2,3)32-21-22-48-43(30-32)51-41-18-13-12-17-39(41)40-20-19-34(29-42(40)51)47(10,11)33-15-14-16-37(26-33)49-23-24-50(31-49)38-27-35(45(4,5)6)25-36(28-38)46(7,8)9;/h12-25,27-28,30-31H,1-11H3;/q-3
• InChIKey: GSWLBWGPVGTIGP-UHFFFAOYSA-N
• XLogP: 11.91
• TPSA: 24.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	867.03
LogP ≤ 5	11.91
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 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum (CID 155652115) is 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum is CC(C)(C)c1cc(N2C=CN(c3[c-]c(C(C)(C)c4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)[CH-]2)cc(C(C)(C)C)c1.[Pt].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum?

The InChIKey is GSWLBWGPVGTIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H51N4.Pt/c1-44(2,3)32-21-22-48-43(30-32)51-41-18-13-12-17-39(41)40-20-19-34(29-42(40)51)47(10,11)33-15-14-16-37(26-33)49-23-24-50(31-49)38-27-35(45(4,5)6)25-36(28-38)46(7,8)9;/h12-25,27-28,30-31H,1-11H3;/q-3;.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum?

9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum has a molecular weight of 867.03 g/mol, XLogP of 11.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 155652115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).