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

C78H73N4O2Pt-3 — CID 176642022

About 3-[3-[3-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,6-ditert-butylphenyl)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(2,4,6-trimethylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,6-ditert-butylphenyl)benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum (PubChem CID 176642022) has the molecular formula C78H73N4O2Pt-3 and a molecular weight of 1293.55 g/mol. Its IUPAC name is 3-[3-[3-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,6-ditert-butylphenyl)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(2,4,6-trimethylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,6-ditert-butylphenyl)benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum
• PubChem CID: 176642022
• Molecular Formula: C78H73N4O2Pt-3
• Molecular Weight: 1293.55 g/mol
• Exact Mass: 1292.54
• IUPAC Name: 3-[3-[3-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,6-ditert-butylphenyl)benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum
• SMILES: Cc1cc(C)c(-c2cccc(-c3c(C)cc(C)cc3C)c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4c6oc7ccccc7c6ccc4n5-c4cc(C(C)(C)C)ccn4)cc(-c4c(C(C)(C)C)cccc4C(C)(C)C)c3)c3ccccc32)c(C)c1.[Pt]
• InChI: InChI=1S/C78H73N4O2.Pt/c1-46-36-48(3)70(49(4)37-46)60-23-20-24-61(71-50(5)38-47(2)39-51(71)6)74(60)81-45-80(64-27-17-18-28-65(64)81)54-40-52(72-62(77(10,11)12)25-21-26-63(72)78(13,14)15)41-56(43-54)83-55-30-31-59-67(44-55)82(69-42-53(34-35-79-69)76(7,8)9)66-33-32-58-57-22-16-19-29-68(57)84-75(58)73(59)66;/h16-42,45H,1-15H3;/q-3
• InChIKey: QGUMUPGATIAVTH-UHFFFAOYSA-N
• XLogP: 21.62
• TPSA: 46.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1293.55
LogP ≤ 5	21.62
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(2,4,6-trimethylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,6-ditert-butylphenyl)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(2,4,6-trimethylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,6-ditert-butylphenyl)benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum (CID 176642022) is 3-[3-[3-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,6-ditert-butylphenyl)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(2,4,6-trimethylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,6-ditert-butylphenyl)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(2,4,6-trimethylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,6-ditert-butylphenyl)benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum is Cc1cc(C)c(-c2cccc(-c3c(C)cc(C)cc3C)c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4c6oc7ccccc7c6ccc4n5-c4cc(C(C)(C)C)ccn4)cc(-c4c(C(C)(C)C)cccc4C(C)(C)C)c3)c3ccccc32)c(C)c1.[Pt].

What is the InChIKey of 3-[3-[3-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,6-ditert-butylphenyl)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 QGUMUPGATIAVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H73N4O2.Pt/c1-46-36-48(3)70(49(4)37-46)60-23-20-24-61(71-50(5)38-47(2)39-51(71)6)74(60)81-45-80(64-27-17-18-28-65(64)81)54-40-52(72-62(77(10,11)12)25-21-26-63(72)78(13,14)15)41-56(43-54)83-55-30-31-59-67(44-55)82(69-42-53(34-35-79-69)76(7,8)9)66-33-32-58-57-22-16-19-29-68(57)84-75(58)73(59)66;/h16-42,45H,1-15H3;/q-3;.

What are the key properties of 3-[3-[3-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,6-ditert-butylphenyl)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(2,4,6-trimethylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,6-ditert-butylphenyl)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 1293.55 g/mol, XLogP of 21.62, 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(2,4,6-trimethylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,6-ditert-butylphenyl)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 176642022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).