2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[2-[4-(2,2-dimethylpropyl)phenyl]furo[3,2-c]pyridin-4-yl]-2H-naphthalen-2-id-1-yl]benzimidazol-2-yl]phenol;platinum

C65H64N3O2Pt- — CID 170660587

IUPAC2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[2-[4-(2,2-dimethylpropyl)phenyl]furo[3,2-c]pyridin-4-yl]-2H-naphthalen-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
SMILESCC(C)(C)Cc1ccc(-c2cc3c(-c4[c-]c(-c5cccc6c5nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5O)n6-c5ccc(C(C)(C)C)cc5-c5ccccc5)c5ccccc5c4)nccc3o2)cc1.[Pt]
InChIInChI=1S/C65H64N3O2.Pt/c1-62(2,3)39-40-25-27-42(28-26-40)57-38-51-56(70-57)31-32-66-58(51)44-33-43-21-16-17-22-47(43)50(34-44)48-23-18-24-55-59(48)67-61(52-36-46(64(7,8)9)37-53(60(52)69)65(10,11)12)68(55)54-30-29-45(63(4,5)6)35-49(54)41-19-14-13-15-20-41;/h13-33,35-38,69H,39H2,1-12H3;/q-1;
InChIKeyAFJMZEFIBBKTOD-UHFFFAOYSA-N
MW1114.32 g/mol
LogP17.64
Rot. Bonds7

About 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[2-[4-(2,2-dimethylpropyl)phenyl]furo[3,2-c]pyridin-4-yl]-2H-naphthalen-2-id-1-yl]benzimidazol-2-yl]phenol;platinum

2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[2-[4-(2,2-dimethylpropyl)phenyl]furo[3,2-c]pyridin-4-yl]-2H-naphthalen-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 170660587) has the molecular formula C65H64N3O2Pt- and a molecular weight of 1114.32 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[2-[4-(2,2-dimethylpropyl)phenyl]furo[3,2-c]pyridin-4-yl]-2H-naphthalen-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[2-[4-(2,2-dimethylpropyl)phenyl]furo[3,2-c]pyridin-4-yl]-2H-naphthalen-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
PubChem CID170660587
Molecular FormulaC65H64N3O2Pt-
Molecular Weight1114.32 g/mol
Exact Mass1113.47
IUPAC Name2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[2-[4-(2,2-dimethylpropyl)phenyl]furo[3,2-c]pyridin-4-yl]-2H-naphthalen-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
SMILESCC(C)(C)Cc1ccc(-c2cc3c(-c4[c-]c(-c5cccc6c5nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5O)n6-c5ccc(C(C)(C)C)cc5-c5ccccc5)c5ccccc5c4)nccc3o2)cc1.[Pt]
InChIInChI=1S/C65H64N3O2.Pt/c1-62(2,3)39-40-25-27-42(28-26-40)57-38-51-56(70-57)31-32-66-58(51)44-33-43-21-16-17-22-47(43)50(34-44)48-23-18-24-55-59(48)67-61(52-36-46(64(7,8)9)37-53(60(52)69)65(10,11)12)68(55)54-30-29-45(63(4,5)6)35-49(54)41-19-14-13-15-20-41;/h13-33,35-38,69H,39H2,1-12H3;/q-1;
InChIKeyAFJMZEFIBBKTOD-UHFFFAOYSA-N
XLogP17.64
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms71
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001114.32
LogP ≤ 517.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[2-[4-(2,2-dimethylpropyl)phenyl]furo[3,2-c]pyridin-4-yl]-2H-naphthalen-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?
The IUPAC name of 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[2-[4-(2,2-dimethylpropyl)phenyl]furo[3,2-c]pyridin-4-yl]-2H-naphthalen-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 170660587) is 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[2-[4-(2,2-dimethylpropyl)phenyl]furo[3,2-c]pyridin-4-yl]-2H-naphthalen-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.
What is the SMILES notation for 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[2-[4-(2,2-dimethylpropyl)phenyl]furo[3,2-c]pyridin-4-yl]-2H-naphthalen-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?
The canonical SMILES for 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[2-[4-(2,2-dimethylpropyl)phenyl]furo[3,2-c]pyridin-4-yl]-2H-naphthalen-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is CC(C)(C)Cc1ccc(-c2cc3c(-c4[c-]c(-c5cccc6c5nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5O)n6-c5ccc(C(C)(C)C)cc5-c5ccccc5)c5ccccc5c4)nccc3o2)cc1.[Pt].
What is the InChIKey of 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[2-[4-(2,2-dimethylpropyl)phenyl]furo[3,2-c]pyridin-4-yl]-2H-naphthalen-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?
The InChIKey is AFJMZEFIBBKTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H64N3O2.Pt/c1-62(2,3)39-40-25-27-42(28-26-40)57-38-51-56(70-57)31-32-66-58(51)44-33-43-21-16-17-22-47(43)50(34-44)48-23-18-24-55-59(48)67-61(52-36-46(64(7,8)9)37-53(60(52)69)65(10,11)12)68(55)54-30-29-45(63(4,5)6)35-49(54)41-19-14-13-15-20-41;/h13-33,35-38,69H,39H2,1-12H3;/q-1;.
What are the key properties of 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[2-[4-(2,2-dimethylpropyl)phenyl]furo[3,2-c]pyridin-4-yl]-2H-naphthalen-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?
2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[2-[4-(2,2-dimethylpropyl)phenyl]furo[3,2-c]pyridin-4-yl]-2H-naphthalen-2-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 1114.32 g/mol, XLogP of 17.64, 7 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-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[2-[4-(2,2-dimethylpropyl)phenyl]furo[3,2-c]pyridin-4-yl]-2H-naphthalen-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 170660587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).