6-carbazol-9-yl-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum

C63H43N5OPt-2 — CID 171610762

About 6-carbazol-9-yl-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum

6-carbazol-9-yl-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 171610762) has the molecular formula C63H43N5OPt-2 and a molecular weight of 1081.15 g/mol. Its IUPAC name is 6-carbazol-9-yl-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 6-carbazol-9-yl-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 171610762
• Molecular Formula: C63H43N5OPt-2
• Molecular Weight: 1081.15 g/mol
• Exact Mass: 1080.31
• IUPAC Name: 6-carbazol-9-yl-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: CC(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)ccc4)ccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.[Pt]
• InChI: InChI=1S/C63H43N5O.Pt/c1-42(2)45-35-36-64-62(37-45)68-58-34-31-47(67-56-27-11-9-23-52(56)53-24-10-12-28-57(53)67)39-55(58)54-33-32-49(40-61(54)68)69-48-22-15-21-46(38-48)65-41-66(60-30-14-13-29-59(60)65)63-50(43-17-5-3-6-18-43)25-16-26-51(63)44-19-7-4-8-20-44;/h3-37,39,42H,1-2H3;/q-2
• InChIKey: VOLSWXCHIFJZTJ-UHFFFAOYSA-N
• XLogP: 15.14
• TPSA: 40.79 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1081.15
LogP ≤ 5	15.14
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 6-carbazol-9-yl-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 6-carbazol-9-yl-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 171610762) is 6-carbazol-9-yl-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 6-carbazol-9-yl-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum is CC(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)ccc4)ccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.[Pt].

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

The InChIKey is VOLSWXCHIFJZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43N5O.Pt/c1-42(2)45-35-36-64-62(37-45)68-58-34-31-47(67-56-27-11-9-23-52(56)53-24-10-12-28-57(53)67)39-55(58)54-33-32-49(40-61(54)68)69-48-22-15-21-46(38-48)65-41-66(60-30-14-13-29-59(60)65)63-50(43-17-5-3-6-18-43)25-16-26-51(63)44-19-7-4-8-20-44;/h3-37,39,42H,1-2H3;/q-2;.

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

6-carbazol-9-yl-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 1081.15 g/mol, XLogP of 15.14, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-carbazol-9-yl-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 171610762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).