2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-10-(4-tert-butyl-2-pyridinyl)-1H-[1]benzofuro[3,2-b]indol-1-ide;platinum

C62H55N4O2Pt-3 — CID 168857453

About 2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-10-(4-tert-butyl-2-pyridinyl)-1H-[1]benzofuro[3,2-b]indol-1-ide;platinum

2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-10-(4-tert-butyl-2-pyridinyl)-1H-[1]benzofuro[3,2-b]indol-1-ide;platinum (PubChem CID 168857453) has the molecular formula C62H55N4O2Pt-3 and a molecular weight of 1083.23 g/mol. Its IUPAC name is 2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-10-(4-tert-butyl-2-pyridinyl)-1H-[1]benzofuro[3,2-b]indol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-10-(4-tert-butyl-2-pyridinyl)-1H-[1]benzofuro[3,2-b]indol-1-ide;platinum
• PubChem CID: 168857453
• Molecular Formula: C62H55N4O2Pt-3
• Molecular Weight: 1083.23 g/mol
• Exact Mass: 1082.40
• IUPAC Name: 2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-10-(4-tert-butyl-2-pyridinyl)-1H-[1]benzofuro[3,2-b]indol-1-ide;platinum
• SMILES: CC(C)(C)c1ccc(-c2cccc(-c3ccc(C(C)(C)C)cc3)c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4oc6ccccc6c4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)cc1.[Pt]
• InChI: InChI=1S/C62H55N4O2.Pt/c1-60(2,3)42-28-24-40(25-29-42)48-19-15-20-49(41-26-30-43(31-27-41)61(4,5)6)57(48)65-39-64(52-21-11-12-22-53(52)65)45-16-14-17-46(37-45)67-47-32-33-50-54(38-47)66(56-36-44(34-35-63-56)62(7,8)9)58-51-18-10-13-23-55(51)68-59(50)58;/h10-36,39H,1-9H3;/q-3
• InChIKey: LOZWRKCAEWBNIH-UHFFFAOYSA-N
• XLogP: 16.95
• TPSA: 46.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1083.23
LogP ≤ 5	16.95
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 2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-10-(4-tert-butyl-2-pyridinyl)-1H-[1]benzofuro[3,2-b]indol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-10-(4-tert-butyl-2-pyridinyl)-1H-[1]benzofuro[3,2-b]indol-1-ide;platinum (CID 168857453) is 2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-10-(4-tert-butyl-2-pyridinyl)-1H-[1]benzofuro[3,2-b]indol-1-ide;platinum.

What is the SMILES notation for 2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-10-(4-tert-butyl-2-pyridinyl)-1H-[1]benzofuro[3,2-b]indol-1-ide;platinum?

The canonical SMILES for 2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-10-(4-tert-butyl-2-pyridinyl)-1H-[1]benzofuro[3,2-b]indol-1-ide;platinum is CC(C)(C)c1ccc(-c2cccc(-c3ccc(C(C)(C)C)cc3)c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4oc6ccccc6c4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)cc1.[Pt].

What is the InChIKey of 2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-10-(4-tert-butyl-2-pyridinyl)-1H-[1]benzofuro[3,2-b]indol-1-ide;platinum?

The InChIKey is LOZWRKCAEWBNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H55N4O2.Pt/c1-60(2,3)42-28-24-40(25-29-42)48-19-15-20-49(41-26-30-43(31-27-41)61(4,5)6)57(48)65-39-64(52-21-11-12-22-53(52)65)45-16-14-17-46(37-45)67-47-32-33-50-54(38-47)66(56-36-44(34-35-63-56)62(7,8)9)58-51-18-10-13-23-55(51)68-59(50)58;/h10-36,39H,1-9H3;/q-3;.

What are the key properties of 2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-10-(4-tert-butyl-2-pyridinyl)-1H-[1]benzofuro[3,2-b]indol-1-ide;platinum?

2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-10-(4-tert-butyl-2-pyridinyl)-1H-[1]benzofuro[3,2-b]indol-1-ide;platinum has a molecular weight of 1083.23 g/mol, XLogP of 16.95, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-10-(4-tert-butyl-2-pyridinyl)-1H-[1]benzofuro[3,2-b]indol-1-ide;platinum is sourced from PubChem (CID 168857453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).