2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-4-carbazol-9-yl-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

C65H47N5OPt-2 — CID 171609042

About 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-4-carbazol-9-yl-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-4-carbazol-9-yl-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 171609042) has the molecular formula C65H47N5OPt-2 and a molecular weight of 1119.26 g/mol. Its IUPAC name is 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-4-carbazol-9-yl-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-4-carbazol-9-yl-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 171609042
• Molecular Formula: C65H47N5OPt-2
• Molecular Weight: 1119.26 g/mol
• Exact Mass: 1118.41
• IUPAC Name: 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-4-carbazol-9-yl-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(c(-n6c7ccccc7c7ccccc76)c4)c4ccccc4n5-c4cc(C(C)C(C)C)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C65H47N5O.Pt/c1-43(2)44(3)47-36-37-66-63(38-47)70-58-33-15-12-28-55(58)64-61(69-56-31-13-10-26-53(56)54-27-11-14-32-57(54)69)40-50(41-62(64)70)71-49-25-18-24-48(39-49)67-42-68(60-35-17-16-34-59(60)67)65-51(45-20-6-4-7-21-45)29-19-30-52(65)46-22-8-5-9-23-46;/h4-38,40,43-44H,1-3H3;/q-2;/i4D,5D,6D,7D,8D,9D,20D,21D,22D,23D
• InChIKey: LLMNFSHDGVLIHJ-QZQHWTROSA-N
• XLogP: 15.78
• TPSA: 40.79 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1119.26
LogP ≤ 5	15.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-4-carbazol-9-yl-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-4-carbazol-9-yl-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 171609042) is 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-4-carbazol-9-yl-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-4-carbazol-9-yl-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(c(-n6c7ccccc7c7ccccc76)c4)c4ccccc4n5-c4cc(C(C)C(C)C)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt].

What is the InChIKey of 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-4-carbazol-9-yl-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The InChIKey is LLMNFSHDGVLIHJ-QZQHWTROSA-N. The full InChI is InChI=1S/C65H47N5O.Pt/c1-43(2)44(3)47-36-37-66-63(38-47)70-58-33-15-12-28-55(58)64-61(69-56-31-13-10-26-53(56)54-27-11-14-32-57(54)69)40-50(41-62(64)70)71-49-25-18-24-48(39-49)67-42-68(60-35-17-16-34-59(60)67)65-51(45-20-6-4-7-21-45)29-19-30-52(65)46-22-8-5-9-23-46;/h4-38,40,43-44H,1-3H3;/q-2;/i4D,5D,6D,7D,8D,9D,20D,21D,22D,23D;.

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

2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-4-carbazol-9-yl-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1119.26 g/mol, XLogP of 15.78, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-4-carbazol-9-yl-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 171609042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).