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

C75H75N4O2Pt-3 — CID 176642278

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

3-[3-[3-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-[4-(1,1-dideuterio-2-methylpropyl)-5-methyl-2-pyridinyl]-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum (PubChem CID 176642278) has the molecular formula C75H75N4O2Pt-3 and a molecular weight of 1261.54 g/mol. Its IUPAC name is 3-[3-[3-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-[4-(1,1-dideuterio-2-methylpropyl)-5-methyl-2-pyridinyl]-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum.

Molecular Properties

• Compound Name: 3-[3-[3-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-[4-(1,1-dideuterio-2-methylpropyl)-5-methyl-2-pyridinyl]-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum
• PubChem CID: 176642278
• Molecular Formula: C75H75N4O2Pt-3
• Molecular Weight: 1261.54 g/mol
• Exact Mass: 1260.57
• IUPAC Name: 3-[3-[3-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-[4-(1,1-dideuterio-2-methylpropyl)-5-methyl-2-pyridinyl]-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum
• SMILES: [2H]C([2H])(c1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7cc(C(C)(C)C)cc(C(C)(C)C)c7)cccc6-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6ccccc65)ccc4)ccc3c3c4oc5ccccc5c4ccc32)ncc1C)C(C)C.[Pt]
• InChI: InChI=1S/C75H75N4O2.Pt/c1-46(2)34-48-39-68(76-44-47(48)3)79-65-33-32-61-60-24-16-19-29-67(60)81-71(61)69(65)62-31-30-57(43-66(62)79)80-56-23-20-22-55(42-56)77-45-78(64-28-18-17-27-63(64)77)70-58(49-35-51(72(4,5)6)40-52(36-49)73(7,8)9)25-21-26-59(70)50-37-53(74(10,11)12)41-54(38-50)75(13,14)15;/h16-33,35-41,44-46H,34H2,1-15H3;/q-3;/i34D2
• InChIKey: CWQACIODKWQKOY-YDDQZFJUSA-N
• XLogP: 20.91
• TPSA: 46.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1261.54
LogP ≤ 5	20.91
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-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-[4-(1,1-dideuterio-2-methylpropyl)-5-methyl-2-pyridinyl]-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum?

The IUPAC name of 3-[3-[3-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-[4-(1,1-dideuterio-2-methylpropyl)-5-methyl-2-pyridinyl]-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum (CID 176642278) is 3-[3-[3-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-[4-(1,1-dideuterio-2-methylpropyl)-5-methyl-2-pyridinyl]-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum.

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

The canonical SMILES for 3-[3-[3-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-[4-(1,1-dideuterio-2-methylpropyl)-5-methyl-2-pyridinyl]-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum is [2H]C([2H])(c1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7cc(C(C)(C)C)cc(C(C)(C)C)c7)cccc6-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6ccccc65)ccc4)ccc3c3c4oc5ccccc5c4ccc32)ncc1C)C(C)C.[Pt].

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

The InChIKey is CWQACIODKWQKOY-YDDQZFJUSA-N. The full InChI is InChI=1S/C75H75N4O2.Pt/c1-46(2)34-48-39-68(76-44-47(48)3)79-65-33-32-61-60-24-16-19-29-67(60)81-71(61)69(65)62-31-30-57(43-66(62)79)80-56-23-20-22-55(42-56)77-45-78(64-28-18-17-27-63(64)77)70-58(49-35-51(72(4,5)6)40-52(36-49)73(7,8)9)25-21-26-59(70)50-37-53(74(10,11)12)41-54(38-50)75(13,14)15;/h16-33,35-41,44-46H,34H2,1-15H3;/q-3;/i34D2;.

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

3-[3-[3-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-[4-(1,1-dideuterio-2-methylpropyl)-5-methyl-2-pyridinyl]-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum has a molecular weight of 1261.54 g/mol, XLogP of 20.91, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[3-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-[4-(1,1-dideuterio-2-methylpropyl)-5-methyl-2-pyridinyl]-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum is sourced from PubChem (CID 176642278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).