3-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-[6-deuterio-5-(3,5-ditert-butylphenyl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-11-isocyano-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum

C78H70N5O2Pt-3 — CID 176641878

About 3-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-[6-deuterio-5-(3,5-ditert-butylphenyl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-11-isocyano-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum

3-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-[6-deuterio-5-(3,5-ditert-butylphenyl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-11-isocyano-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum (PubChem CID 176641878) has the molecular formula C78H70N5O2Pt-3 and a molecular weight of 1307.55 g/mol. Its IUPAC name is 3-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-[6-deuterio-5-(3,5-ditert-butylphenyl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-11-isocyano-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum.

Molecular Properties

• Compound Name: 3-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-[6-deuterio-5-(3,5-ditert-butylphenyl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-11-isocyano-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum
• PubChem CID: 176641878
• Molecular Formula: C78H70N5O2Pt-3
• Molecular Weight: 1307.55 g/mol
• Exact Mass: 1306.54
• IUPAC Name: 3-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-[6-deuterio-5-(3,5-ditert-butylphenyl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-11-isocyano-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum
• SMILES: [2H]c1nc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7ccccc7)cc(C(C)(C)C)cc6-c6ccccc6)c6ccccc65)ccc4)ccc3c3c4oc5c([N+]#[C-])cccc5c4ccc32)cc(C([2H])([2H])C(C)(C)C)c1-c1cc(C(C)(C)C)cc(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C78H70N5O2.Pt/c1-75(2,3)46-52-40-70(80-47-64(52)51-38-53(76(4,5)6)41-54(39-51)77(7,8)9)83-68-37-36-60-59-30-23-31-65(79-13)73(59)85-74(60)71(68)61-35-34-58(45-69(61)83)84-57-29-22-28-56(44-57)81-48-82(67-33-21-20-32-66(67)81)72-62(49-24-16-14-17-25-49)42-55(78(10,11)12)43-63(72)50-26-18-15-19-27-50;/h14-43,47-48H,46H2,1-12H3;/q-3;/i46D2,47D
• InChIKey: VNKCUZZYLBXIKL-HKKHANJZSA-N
• XLogP: 21.91
• TPSA: 51.03 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1307.55
LogP ≤ 5	21.91
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-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-[6-deuterio-5-(3,5-ditert-butylphenyl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-11-isocyano-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum?

The IUPAC name of 3-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-[6-deuterio-5-(3,5-ditert-butylphenyl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-11-isocyano-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum (CID 176641878) is 3-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-[6-deuterio-5-(3,5-ditert-butylphenyl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-11-isocyano-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum.

What is the SMILES notation for 3-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-[6-deuterio-5-(3,5-ditert-butylphenyl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-11-isocyano-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum?

The canonical SMILES for 3-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-[6-deuterio-5-(3,5-ditert-butylphenyl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-11-isocyano-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum is [2H]c1nc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7ccccc7)cc(C(C)(C)C)cc6-c6ccccc6)c6ccccc65)ccc4)ccc3c3c4oc5c([N+]#[C-])cccc5c4ccc32)cc(C([2H])([2H])C(C)(C)C)c1-c1cc(C(C)(C)C)cc(C(C)(C)C)c1.[Pt].

What is the InChIKey of 3-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-[6-deuterio-5-(3,5-ditert-butylphenyl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-11-isocyano-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum?

The InChIKey is VNKCUZZYLBXIKL-HKKHANJZSA-N. The full InChI is InChI=1S/C78H70N5O2.Pt/c1-75(2,3)46-52-40-70(80-47-64(52)51-38-53(76(4,5)6)41-54(39-51)77(7,8)9)83-68-37-36-60-59-30-23-31-65(79-13)73(59)85-74(60)71(68)61-35-34-58(45-69(61)83)84-57-29-22-28-56(44-57)81-48-82(67-33-21-20-32-66(67)81)72-62(49-24-16-14-17-25-49)42-55(78(10,11)12)43-63(72)50-26-18-15-19-27-50;/h14-43,47-48H,46H2,1-12H3;/q-3;/i46D2,47D;.

What are the key properties of 3-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-[6-deuterio-5-(3,5-ditert-butylphenyl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-11-isocyano-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum?

3-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-[6-deuterio-5-(3,5-ditert-butylphenyl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-11-isocyano-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum has a molecular weight of 1307.55 g/mol, XLogP of 21.91, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-[6-deuterio-5-(3,5-ditert-butylphenyl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-11-isocyano-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum is sourced from PubChem (CID 176641878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).