9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-dimethyl-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

C47H43N4OPt-3 — CID 162449597

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-dimethyl-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-dimethyl-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 162449597) has the molecular formula C47H43N4OPt-3 and a molecular weight of 874.97 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-dimethyl-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-dimethyl-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 162449597
• Molecular Formula: C47H43N4OPt-3
• Molecular Weight: 874.97 g/mol
• Exact Mass: 874.31
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-dimethyl-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: CC1=C(C)N(c2cccc(C(C)(C)c3ccccc3)c2)[CH-]N1c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)ccc1.[Pt]
• InChI: InChI=1S/C47H43N4O.Pt/c1-32-33(2)50(31-49(32)37-18-13-17-36(27-37)47(6,7)34-15-9-8-10-16-34)38-19-14-20-39(29-38)52-40-23-24-42-41-21-11-12-22-43(41)51(44(42)30-40)45-28-35(25-26-48-45)46(3,4)5;/h8-28,31H,1-7H3;/q-3
• InChIKey: ZHAPLDPZCISGAA-UHFFFAOYSA-N
• XLogP: 11.89
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	874.97
LogP ≤ 5	11.89
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-[4,5-dimethyl-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-dimethyl-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 162449597) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-dimethyl-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-dimethyl-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is CC1=C(C)N(c2cccc(C(C)(C)c3ccccc3)c2)[CH-]N1c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)ccc1.[Pt].

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

The InChIKey is ZHAPLDPZCISGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H43N4O.Pt/c1-32-33(2)50(31-49(32)37-18-13-17-36(27-37)47(6,7)34-15-9-8-10-16-34)38-19-14-20-39(29-38)52-40-23-24-42-41-21-11-12-22-43(41)51(44(42)30-40)45-28-35(25-26-48-45)46(3,4)5;/h8-28,31H,1-7H3;/q-3;.

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-dimethyl-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 874.97 g/mol, XLogP of 11.89, 7 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-[4,5-dimethyl-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162449597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).