9-[4-(3-deuteriopentan-3-yl)-2-pyridinyl]-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum

C48H47N5OPt-2 — CID 171765781

About 9-[4-(3-deuteriopentan-3-yl)-2-pyridinyl]-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum

9-[4-(3-deuteriopentan-3-yl)-2-pyridinyl]-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum (PubChem CID 171765781) has the molecular formula C48H47N5OPt-2 and a molecular weight of 906.02 g/mol. Its IUPAC name is 9-[4-(3-deuteriopentan-3-yl)-2-pyridinyl]-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-[4-(3-deuteriopentan-3-yl)-2-pyridinyl]-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum
• PubChem CID: 171765781
• Molecular Formula: C48H47N5OPt-2
• Molecular Weight: 906.02 g/mol
• Exact Mass: 905.35
• IUPAC Name: 9-[4-(3-deuteriopentan-3-yl)-2-pyridinyl]-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum
• SMILES: [2H]C(CC)(CC)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6ccccc65)ncc4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C48H47N5O.Pt/c1-9-32(10-2)33-21-23-50-46(25-33)53-41-16-12-11-15-39(41)40-20-19-37(29-44(40)53)54-38-22-24-49-45(30-38)52-31-51(42-17-13-14-18-43(42)52)36-27-34(47(3,4)5)26-35(28-36)48(6,7)8;/h11-28,32H,9-10H2,1-8H3;/q-2;/i32D
• InChIKey: SNPIVFUJQJWAJF-KNSAOVQCSA-N
• XLogP: 11.48
• TPSA: 48.75 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	906.02
LogP ≤ 5	11.48
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 9-[4-(3-deuteriopentan-3-yl)-2-pyridinyl]-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-[4-(3-deuteriopentan-3-yl)-2-pyridinyl]-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum (CID 171765781) is 9-[4-(3-deuteriopentan-3-yl)-2-pyridinyl]-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 9-[4-(3-deuteriopentan-3-yl)-2-pyridinyl]-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-[4-(3-deuteriopentan-3-yl)-2-pyridinyl]-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum is [2H]C(CC)(CC)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6ccccc65)ncc4)ccc3c3ccccc32)c1.[Pt].

What is the InChIKey of 9-[4-(3-deuteriopentan-3-yl)-2-pyridinyl]-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum?

The InChIKey is SNPIVFUJQJWAJF-KNSAOVQCSA-N. The full InChI is InChI=1S/C48H47N5O.Pt/c1-9-32(10-2)33-21-23-50-46(25-33)53-41-16-12-11-15-39(41)40-20-19-37(29-44(40)53)54-38-22-24-49-45(30-38)52-31-51(42-17-13-14-18-43(42)52)36-27-34(47(3,4)5)26-35(28-36)48(6,7)8;/h11-28,32H,9-10H2,1-8H3;/q-2;/i32D;.

What are the key properties of 9-[4-(3-deuteriopentan-3-yl)-2-pyridinyl]-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum?

9-[4-(3-deuteriopentan-3-yl)-2-pyridinyl]-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum has a molecular weight of 906.02 g/mol, XLogP of 11.48, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(3-deuteriopentan-3-yl)-2-pyridinyl]-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 171765781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).