2,4-ditert-butyl-6-[3-(4-phenyl-2-propan-2-ylphenyl)-9-(4-phenyl-2-pyridinyl)-10H-[1]benzofuro[3,2-e]benzimidazol-10-id-2-yl]phenol;platinum

C53H48N3O2Pt- — CID 164746112

About 2,4-ditert-butyl-6-[3-(4-phenyl-2-propan-2-ylphenyl)-9-(4-phenyl-2-pyridinyl)-10H-[1]benzofuro[3,2-e]benzimidazol-10-id-2-yl]phenol;platinum

2,4-ditert-butyl-6-[3-(4-phenyl-2-propan-2-ylphenyl)-9-(4-phenyl-2-pyridinyl)-10H-[1]benzofuro[3,2-e]benzimidazol-10-id-2-yl]phenol;platinum (PubChem CID 164746112) has the molecular formula C53H48N3O2Pt- and a molecular weight of 954.06 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[3-(4-phenyl-2-propan-2-ylphenyl)-9-(4-phenyl-2-pyridinyl)-10H-[1]benzofuro[3,2-e]benzimidazol-10-id-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[3-(4-phenyl-2-propan-2-ylphenyl)-9-(4-phenyl-2-pyridinyl)-10H-[1]benzofuro[3,2-e]benzimidazol-10-id-2-yl]phenol;platinum
• PubChem CID: 164746112
• Molecular Formula: C53H48N3O2Pt-
• Molecular Weight: 954.06 g/mol
• Exact Mass: 953.34
• IUPAC Name: 2,4-ditert-butyl-6-[3-(4-phenyl-2-propan-2-ylphenyl)-9-(4-phenyl-2-pyridinyl)-10H-[1]benzofuro[3,2-e]benzimidazol-10-id-2-yl]phenol;platinum
• SMILES: CC(C)c1cc(-c2ccccc2)ccc1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c3c(ccc21)oc1ccc(-c2cc(-c4ccccc4)ccn2)[c-]c13.[Pt]
• InChI: InChI=1S/C53H48N3O2.Pt/c1-32(2)39-27-35(33-15-11-9-12-16-33)19-21-44(39)56-45-22-24-47-48(49(45)55-51(56)41-30-38(52(3,4)5)31-42(50(41)57)53(6,7)8)40-28-37(20-23-46(40)58-47)43-29-36(25-26-54-43)34-17-13-10-14-18-34;/h9-27,29-32,57H,1-8H3;/q-1
• InChIKey: HZYJLJJGZMCIBL-UHFFFAOYSA-N
• XLogP: 14.21
• TPSA: 64.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	954.06
LogP ≤ 5	14.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[3-(4-phenyl-2-propan-2-ylphenyl)-9-(4-phenyl-2-pyridinyl)-10H-[1]benzofuro[3,2-e]benzimidazol-10-id-2-yl]phenol;platinum?

The IUPAC name of 2,4-ditert-butyl-6-[3-(4-phenyl-2-propan-2-ylphenyl)-9-(4-phenyl-2-pyridinyl)-10H-[1]benzofuro[3,2-e]benzimidazol-10-id-2-yl]phenol;platinum (CID 164746112) is 2,4-ditert-butyl-6-[3-(4-phenyl-2-propan-2-ylphenyl)-9-(4-phenyl-2-pyridinyl)-10H-[1]benzofuro[3,2-e]benzimidazol-10-id-2-yl]phenol;platinum.

What is the SMILES notation for 2,4-ditert-butyl-6-[3-(4-phenyl-2-propan-2-ylphenyl)-9-(4-phenyl-2-pyridinyl)-10H-[1]benzofuro[3,2-e]benzimidazol-10-id-2-yl]phenol;platinum?

The canonical SMILES for 2,4-ditert-butyl-6-[3-(4-phenyl-2-propan-2-ylphenyl)-9-(4-phenyl-2-pyridinyl)-10H-[1]benzofuro[3,2-e]benzimidazol-10-id-2-yl]phenol;platinum is CC(C)c1cc(-c2ccccc2)ccc1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c3c(ccc21)oc1ccc(-c2cc(-c4ccccc4)ccn2)[c-]c13.[Pt].

What is the InChIKey of 2,4-ditert-butyl-6-[3-(4-phenyl-2-propan-2-ylphenyl)-9-(4-phenyl-2-pyridinyl)-10H-[1]benzofuro[3,2-e]benzimidazol-10-id-2-yl]phenol;platinum?

The InChIKey is HZYJLJJGZMCIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H48N3O2.Pt/c1-32(2)39-27-35(33-15-11-9-12-16-33)19-21-44(39)56-45-22-24-47-48(49(45)55-51(56)41-30-38(52(3,4)5)31-42(50(41)57)53(6,7)8)40-28-37(20-23-46(40)58-47)43-29-36(25-26-54-43)34-17-13-10-14-18-34;/h9-27,29-32,57H,1-8H3;/q-1;.

What are the key properties of 2,4-ditert-butyl-6-[3-(4-phenyl-2-propan-2-ylphenyl)-9-(4-phenyl-2-pyridinyl)-10H-[1]benzofuro[3,2-e]benzimidazol-10-id-2-yl]phenol;platinum?

2,4-ditert-butyl-6-[3-(4-phenyl-2-propan-2-ylphenyl)-9-(4-phenyl-2-pyridinyl)-10H-[1]benzofuro[3,2-e]benzimidazol-10-id-2-yl]phenol;platinum has a molecular weight of 954.06 g/mol, XLogP of 14.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-ditert-butyl-6-[3-(4-phenyl-2-propan-2-ylphenyl)-9-(4-phenyl-2-pyridinyl)-10H-[1]benzofuro[3,2-e]benzimidazol-10-id-2-yl]phenol;platinum is sourced from PubChem (CID 164746112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).