3-[3-tert-butyl-5-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-5-[4-tert-butyl-6-deuterio-5-(trideuteriomethyl)-2-pyridinyl]-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum

C83H91N4O2Pt-3 — CID 176641977

About 3-[3-tert-butyl-5-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-5-[4-tert-butyl-6-deuterio-5-(trideuteriomethyl)-2-pyridinyl]-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum

3-[3-tert-butyl-5-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-5-[4-tert-butyl-6-deuterio-5-(trideuteriomethyl)-2-pyridinyl]-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum (PubChem CID 176641977) has the molecular formula C83H91N4O2Pt-3 and a molecular weight of 1375.77 g/mol. Its IUPAC name is 3-[3-tert-butyl-5-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-5-[4-tert-butyl-6-deuterio-5-(trideuteriomethyl)-2-pyridinyl]-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum.

Molecular Properties

• Compound Name: 3-[3-tert-butyl-5-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-5-[4-tert-butyl-6-deuterio-5-(trideuteriomethyl)-2-pyridinyl]-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum
• PubChem CID: 176641977
• Molecular Formula: C83H91N4O2Pt-3
• Molecular Weight: 1375.77 g/mol
• Exact Mass: 1374.71
• IUPAC Name: 3-[3-tert-butyl-5-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-5-[4-tert-butyl-6-deuterio-5-(trideuteriomethyl)-2-pyridinyl]-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum
• SMILES: [2H]c1nc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7cc(C(C)(C)C)cc(C(C)(C)C)c7)cc(C(C)(C)C)cc6-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6ccccc65)cc(C(C)(C)C)c4)ccc3c3c4oc5ccccc5c4ccc32)cc(C(C)(C)C)c1C([2H])([2H])[2H].[Pt]
• InChI: InChI=1S/C83H91N4O2.Pt/c1-50-48-84-73(47-67(50)83(20,21)22)87-70-34-33-63-62-27-23-26-30-72(62)89-76(63)74(70)64-32-31-60(46-71(64)87)88-61-42-57(81(14,15)16)41-59(45-61)85-49-86(69-29-25-24-28-68(69)85)75-65(51-35-53(77(2,3)4)39-54(36-51)78(5,6)7)43-58(82(17,18)19)44-66(75)52-37-55(79(8,9)10)40-56(38-52)80(11,12)13;/h23-44,47-49H,1-22H3;/q-3;/i1D3,48D
• InChIKey: CPHNHGQRHKQONO-XMXSIMOVSA-N
• XLogP: 23.60
• TPSA: 46.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1375.77
LogP ≤ 5	23.60
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-tert-butyl-5-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-5-[4-tert-butyl-6-deuterio-5-(trideuteriomethyl)-2-pyridinyl]-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum?

The IUPAC name of 3-[3-tert-butyl-5-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-5-[4-tert-butyl-6-deuterio-5-(trideuteriomethyl)-2-pyridinyl]-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum (CID 176641977) is 3-[3-tert-butyl-5-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-5-[4-tert-butyl-6-deuterio-5-(trideuteriomethyl)-2-pyridinyl]-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum.

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

The canonical SMILES for 3-[3-tert-butyl-5-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-5-[4-tert-butyl-6-deuterio-5-(trideuteriomethyl)-2-pyridinyl]-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum is [2H]c1nc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7cc(C(C)(C)C)cc(C(C)(C)C)c7)cc(C(C)(C)C)cc6-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6ccccc65)cc(C(C)(C)C)c4)ccc3c3c4oc5ccccc5c4ccc32)cc(C(C)(C)C)c1C([2H])([2H])[2H].[Pt].

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

The InChIKey is CPHNHGQRHKQONO-XMXSIMOVSA-N. The full InChI is InChI=1S/C83H91N4O2.Pt/c1-50-48-84-73(47-67(50)83(20,21)22)87-70-34-33-63-62-27-23-26-30-72(62)89-76(63)74(70)64-32-31-60(46-71(64)87)88-61-42-57(81(14,15)16)41-59(45-61)85-49-86(69-29-25-24-28-68(69)85)75-65(51-35-53(77(2,3)4)39-54(36-51)78(5,6)7)43-58(82(17,18)19)44-66(75)52-37-55(79(8,9)10)40-56(38-52)80(11,12)13;/h23-44,47-49H,1-22H3;/q-3;/i1D3,48D;.

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

3-[3-tert-butyl-5-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-5-[4-tert-butyl-6-deuterio-5-(trideuteriomethyl)-2-pyridinyl]-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum has a molecular weight of 1375.77 g/mol, XLogP of 23.60, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-tert-butyl-5-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-5-[4-tert-butyl-6-deuterio-5-(trideuteriomethyl)-2-pyridinyl]-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum is sourced from PubChem (CID 176641977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).