2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

C57H54N4OPt-2 — CID 171608860

About 2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 171608860) has the molecular formula C57H54N4OPt-2 and a molecular weight of 1006.16 g/mol. Its IUPAC name is 2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 171608860
• Molecular Formula: C57H54N4OPt-2
• Molecular Weight: 1006.16 g/mol
• Exact Mass: 1005.40
• IUPAC Name: 2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: CC(C)C(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6c(-c7ccccc7)cccc6-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)cc5)ccc4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C57H54N4O.Pt/c1-38(2)39(3)41-27-28-58-54(33-41)61-52-24-14-13-21-50(52)51-26-25-47(36-53(51)61)62-46-20-15-19-45(35-46)59-29-30-60(37-59)55-48(40-17-11-10-12-18-40)22-16-23-49(55)42-31-43(56(4,5)6)34-44(32-42)57(7,8)9;/h10-34,38-39H,1-9H3;/q-2
• InChIKey: ISOJQSHIVLIMHK-UHFFFAOYSA-N
• XLogP: 14.12
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1006.16
LogP ≤ 5	14.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 171608860) is 2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is CC(C)C(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6c(-c7ccccc7)cccc6-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)cc5)ccc4)ccc3c3ccccc32)c1.[Pt].

What is the InChIKey of 2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The InChIKey is ISOJQSHIVLIMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H54N4O.Pt/c1-38(2)39(3)41-27-28-58-54(33-41)61-52-24-14-13-21-50(52)51-26-25-47(36-53(51)61)62-46-20-15-19-45(35-46)59-29-30-60(37-59)55-48(40-17-11-10-12-18-40)22-16-23-49(55)42-31-43(56(4,5)6)34-44(32-42)57(7,8)9;/h10-34,38-39H,1-9H3;/q-2;.

What are the key properties of 2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1006.16 g/mol, XLogP of 14.12, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 171608860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).