3-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)-4-propan-2-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum

C61H47N4O2Pt-3 — CID 176641779

About 3-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)-4-propan-2-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum

3-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)-4-propan-2-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum (PubChem CID 176641779) has the molecular formula C61H47N4O2Pt-3 and a molecular weight of 1073.21 g/mol. Its IUPAC name is 3-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)-4-propan-2-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum.

Molecular Properties

• Compound Name: 3-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)-4-propan-2-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum
• PubChem CID: 176641779
• Molecular Formula: C61H47N4O2Pt-3
• Molecular Weight: 1073.21 g/mol
• Exact Mass: 1072.40
• IUPAC Name: 3-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)-4-propan-2-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2cc(C(C)C)cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4c6oc7ccccc7c6ccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C61H47N4O2.Pt/c1-39(2)42-33-50(40-17-8-6-9-18-40)59(51(34-42)41-19-10-7-11-20-41)64-38-63(52-24-13-14-25-53(52)64)44-21-16-22-45(36-44)66-46-27-28-49-55(37-46)65(57-35-43(31-32-62-57)61(3,4)5)54-30-29-48-47-23-12-15-26-56(47)67-60(48)58(49)54;/h6-35,38-39H,1-5H3;/q-3;/i6D,7D,8D,9D,10D,11D,17D,18D,19D,20D
• InChIKey: CFSUFVZUXPMPLA-HEKKALSCSA-N
• XLogP: 16.63
• TPSA: 46.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1073.21
LogP ≤ 5	16.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)-4-propan-2-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum?

The IUPAC name of 3-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)-4-propan-2-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum (CID 176641779) is 3-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)-4-propan-2-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum.

What is the SMILES notation for 3-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)-4-propan-2-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum?

The canonical SMILES for 3-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)-4-propan-2-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum is [2H]c1c([2H])c([2H])c(-c2cc(C(C)C)cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4c6oc7ccccc7c6ccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt].

What is the InChIKey of 3-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)-4-propan-2-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum?

The InChIKey is CFSUFVZUXPMPLA-HEKKALSCSA-N. The full InChI is InChI=1S/C61H47N4O2.Pt/c1-39(2)42-33-50(40-17-8-6-9-18-40)59(51(34-42)41-19-10-7-11-20-41)64-38-63(52-24-13-14-25-53(52)64)44-21-16-22-45(36-44)66-46-27-28-49-55(37-46)65(57-35-43(31-32-62-57)61(3,4)5)54-30-29-48-47-23-12-15-26-56(47)67-60(48)58(49)54;/h6-35,38-39H,1-5H3;/q-3;/i6D,7D,8D,9D,10D,11D,17D,18D,19D,20D;.

What are the key properties of 3-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)-4-propan-2-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum?

3-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)-4-propan-2-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum has a molecular weight of 1073.21 g/mol, XLogP of 16.63, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)-4-propan-2-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum is sourced from PubChem (CID 176641779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).