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

C60H53N4OPt-3 — CID 164704733

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

9-[4-(4-tert-butyl-2,6-diphenylphenyl)-2-pyridinyl]-2-[3-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 164704733) has the molecular formula C60H53N4OPt-3 and a molecular weight of 1041.19 g/mol. Its IUPAC name is 9-[4-(4-tert-butyl-2,6-diphenylphenyl)-2-pyridinyl]-2-[3-[3-[2,6-di(propan-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-(4-tert-butyl-2,6-diphenylphenyl)-2-pyridinyl]-2-[3-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 164704733
• Molecular Formula: C60H53N4OPt-3
• Molecular Weight: 1041.19 g/mol
• Exact Mass: 1040.39
• IUPAC Name: 9-[4-(4-tert-butyl-2,6-diphenylphenyl)-2-pyridinyl]-2-[3-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: CC(C)c1cccc(C(C)C)c1N1C=CN(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(-c4c(-c5ccccc5)cc(C(C)(C)C)cc4-c4ccccc4)ccn3)ccc2)[CH-]1.[Pt]
• InChI: InChI=1S/C60H53N4O.Pt/c1-40(2)49-25-17-26-50(41(3)4)59(49)63-33-32-62(39-63)46-22-16-23-47(37-46)65-48-28-29-52-51-24-14-15-27-55(51)64(56(52)38-48)57-34-44(30-31-61-57)58-53(42-18-10-8-11-19-42)35-45(60(5,6)7)36-54(58)43-20-12-9-13-21-43;/h8-36,39-41H,1-7H3;/q-3
• InChIKey: YAXQFWZXHNCNAD-UHFFFAOYSA-N
• XLogP: 16.03
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1041.19
LogP ≤ 5	16.03
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-(4-tert-butyl-2,6-diphenylphenyl)-2-pyridinyl]-2-[3-[3-[2,6-di(propan-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-(4-tert-butyl-2,6-diphenylphenyl)-2-pyridinyl]-2-[3-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 164704733) is 9-[4-(4-tert-butyl-2,6-diphenylphenyl)-2-pyridinyl]-2-[3-[3-[2,6-di(propan-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-(4-tert-butyl-2,6-diphenylphenyl)-2-pyridinyl]-2-[3-[3-[2,6-di(propan-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-(4-tert-butyl-2,6-diphenylphenyl)-2-pyridinyl]-2-[3-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is CC(C)c1cccc(C(C)C)c1N1C=CN(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(-c4c(-c5ccccc5)cc(C(C)(C)C)cc4-c4ccccc4)ccn3)ccc2)[CH-]1.[Pt].

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

The InChIKey is YAXQFWZXHNCNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H53N4O.Pt/c1-40(2)49-25-17-26-50(41(3)4)59(49)63-33-32-62(39-63)46-22-16-23-47(37-46)65-48-28-29-52-51-24-14-15-27-55(51)64(56(52)38-48)57-34-44(30-31-61-57)58-53(42-18-10-8-11-19-42)35-45(60(5,6)7)36-54(58)43-20-12-9-13-21-43;/h8-36,39-41H,1-7H3;/q-3;.

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

9-[4-(4-tert-butyl-2,6-diphenylphenyl)-2-pyridinyl]-2-[3-[3-[2,6-di(propan-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 1041.19 g/mol, XLogP of 16.03, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(4-tert-butyl-2,6-diphenylphenyl)-2-pyridinyl]-2-[3-[3-[2,6-di(propan-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 164704733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).