2-[3-(2,6-dimethyl-4-phenylphenyl)-5-[3-[4-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum

C62H50FN4OPt-3 — CID 172534383

About 2-[3-(2,6-dimethyl-4-phenylphenyl)-5-[3-[4-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum

2-[3-(2,6-dimethyl-4-phenylphenyl)-5-[3-[4-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (PubChem CID 172534383) has the molecular formula C62H50FN4OPt-3 and a molecular weight of 1081.19 g/mol. Its IUPAC name is 2-[3-(2,6-dimethyl-4-phenylphenyl)-5-[3-[4-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-(2,6-dimethyl-4-phenylphenyl)-5-[3-[4-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• PubChem CID: 172534383
• Molecular Formula: C62H50FN4OPt-3
• Molecular Weight: 1081.19 g/mol
• Exact Mass: 1080.36
• IUPAC Name: 2-[3-(2,6-dimethyl-4-phenylphenyl)-5-[3-[4-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• SMILES: Cc1cc(-c2ccccc2)cc(C)c1-c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)[c-]c(N2[CH-]N(c3c(C(C)C)cc(-c4ccccc4F)cc3C(C)C)c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C62H50FN4O.Pt/c1-39(2)53-34-45(50-20-10-12-22-55(50)63)35-54(40(3)4)62(53)66-38-65(57-24-14-15-25-58(57)66)47-32-46(61-41(5)30-44(31-42(61)6)43-18-8-7-9-19-43)33-49(36-47)68-48-27-28-52-51-21-11-13-23-56(51)67(59(52)37-48)60-26-16-17-29-64-60;/h7-35,38-40H,1-6H3;/q-3
• InChIKey: DHCHBNJTKDXMEP-UHFFFAOYSA-N
• XLogP: 16.98
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1081.19
LogP ≤ 5	16.98
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 2-[3-(2,6-dimethyl-4-phenylphenyl)-5-[3-[4-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-(2,6-dimethyl-4-phenylphenyl)-5-[3-[4-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (CID 172534383) is 2-[3-(2,6-dimethyl-4-phenylphenyl)-5-[3-[4-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-(2,6-dimethyl-4-phenylphenyl)-5-[3-[4-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-(2,6-dimethyl-4-phenylphenyl)-5-[3-[4-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is Cc1cc(-c2ccccc2)cc(C)c1-c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)[c-]c(N2[CH-]N(c3c(C(C)C)cc(-c4ccccc4F)cc3C(C)C)c3ccccc32)c1.[Pt].

What is the InChIKey of 2-[3-(2,6-dimethyl-4-phenylphenyl)-5-[3-[4-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The InChIKey is DHCHBNJTKDXMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H50FN4O.Pt/c1-39(2)53-34-45(50-20-10-12-22-55(50)63)35-54(40(3)4)62(53)66-38-65(57-24-14-15-25-58(57)66)47-32-46(61-41(5)30-44(31-42(61)6)43-18-8-7-9-19-43)33-49(36-47)68-48-27-28-52-51-21-11-13-23-56(51)67(59(52)37-48)60-26-16-17-29-64-60;/h7-35,38-40H,1-6H3;/q-3;.

What are the key properties of 2-[3-(2,6-dimethyl-4-phenylphenyl)-5-[3-[4-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

2-[3-(2,6-dimethyl-4-phenylphenyl)-5-[3-[4-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum has a molecular weight of 1081.19 g/mol, XLogP of 16.98, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(2,6-dimethyl-4-phenylphenyl)-5-[3-[4-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 172534383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).