2,4-ditert-butyl-6-[3-(2,4-diphenylphenyl)-10-(4-phenyl-2-pyridinyl)-11H-imidazo[4,5-a]phenanthridin-11-id-2-yl]phenol;platinum

C57H47N4OPt- — CID 164746164

IUPAC2,4-ditert-butyl-6-[3-(2,4-diphenylphenyl)-10-(4-phenyl-2-pyridinyl)-11H-imidazo[4,5-a]phenanthridin-11-id-2-yl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2nc3c4c(ccc3n2-c2ccc(-c3ccccc3)cc2-c2ccccc2)ncc2ccc(-c3cc(-c5ccccc5)ccn3)[c-]c24)c(O)c(C(C)(C)C)c1.[Pt]
InChIInChI=1S/C57H47N4O.Pt/c1-56(2,3)43-33-46(54(62)47(34-43)57(4,5)6)55-60-53-51(61(55)50-26-24-39(36-16-10-7-11-17-36)30-44(50)38-20-14-9-15-21-38)27-25-48-52(53)45-31-41(22-23-42(45)35-59-48)49-32-40(28-29-58-49)37-18-12-8-13-19-37;/h7-30,32-35,62H,1-6H3;/q-1;
InChIKeyWJINYPYTWPIOOD-UHFFFAOYSA-N
MW999.11 g/mol
LogP14.56
Rot. Bonds6

About 2,4-ditert-butyl-6-[3-(2,4-diphenylphenyl)-10-(4-phenyl-2-pyridinyl)-11H-imidazo[4,5-a]phenanthridin-11-id-2-yl]phenol;platinum

2,4-ditert-butyl-6-[3-(2,4-diphenylphenyl)-10-(4-phenyl-2-pyridinyl)-11H-imidazo[4,5-a]phenanthridin-11-id-2-yl]phenol;platinum (PubChem CID 164746164) has the molecular formula C57H47N4OPt- and a molecular weight of 999.11 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[3-(2,4-diphenylphenyl)-10-(4-phenyl-2-pyridinyl)-11H-imidazo[4,5-a]phenanthridin-11-id-2-yl]phenol;platinum.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[3-(2,4-diphenylphenyl)-10-(4-phenyl-2-pyridinyl)-11H-imidazo[4,5-a]phenanthridin-11-id-2-yl]phenol;platinum
PubChem CID164746164
Molecular FormulaC57H47N4OPt-
Molecular Weight999.11 g/mol
Exact Mass998.34
IUPAC Name2,4-ditert-butyl-6-[3-(2,4-diphenylphenyl)-10-(4-phenyl-2-pyridinyl)-11H-imidazo[4,5-a]phenanthridin-11-id-2-yl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2nc3c4c(ccc3n2-c2ccc(-c3ccccc3)cc2-c2ccccc2)ncc2ccc(-c3cc(-c5ccccc5)ccn3)[c-]c24)c(O)c(C(C)(C)C)c1.[Pt]
InChIInChI=1S/C57H47N4O.Pt/c1-56(2,3)43-33-46(54(62)47(34-43)57(4,5)6)55-60-53-51(61(55)50-26-24-39(36-16-10-7-11-17-36)30-44(50)38-20-14-9-15-21-38)27-25-48-52(53)45-31-41(22-23-42(45)35-59-48)49-32-40(28-29-58-49)37-18-12-8-13-19-37;/h7-30,32-35,62H,1-6H3;/q-1;
InChIKeyWJINYPYTWPIOOD-UHFFFAOYSA-N
XLogP14.56
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500999.11
LogP ≤ 514.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 167355310
CID 164796492
CID 164796492
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
2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 153481343
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-(4-hydroxy-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
CID 171057378
CID 164796582
CID 164796582
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-(2,4-diphenylphenyl)benzimidazol-2-yl]phenol
CID 140833244
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-fluorophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
CID 164816632
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
CID 167332166
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
CID 153477493
2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-phenyl-5-[4-[3-phenyl-4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 153478027
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2-(4-tert-butylphenyl)-4-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum
CID 153479683

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[3-(2,4-diphenylphenyl)-10-(4-phenyl-2-pyridinyl)-11H-imidazo[4,5-a]phenanthridin-11-id-2-yl]phenol;platinum?
The IUPAC name of 2,4-ditert-butyl-6-[3-(2,4-diphenylphenyl)-10-(4-phenyl-2-pyridinyl)-11H-imidazo[4,5-a]phenanthridin-11-id-2-yl]phenol;platinum (CID 164746164) is 2,4-ditert-butyl-6-[3-(2,4-diphenylphenyl)-10-(4-phenyl-2-pyridinyl)-11H-imidazo[4,5-a]phenanthridin-11-id-2-yl]phenol;platinum.
What is the SMILES notation for 2,4-ditert-butyl-6-[3-(2,4-diphenylphenyl)-10-(4-phenyl-2-pyridinyl)-11H-imidazo[4,5-a]phenanthridin-11-id-2-yl]phenol;platinum?
The canonical SMILES for 2,4-ditert-butyl-6-[3-(2,4-diphenylphenyl)-10-(4-phenyl-2-pyridinyl)-11H-imidazo[4,5-a]phenanthridin-11-id-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2nc3c4c(ccc3n2-c2ccc(-c3ccccc3)cc2-c2ccccc2)ncc2ccc(-c3cc(-c5ccccc5)ccn3)[c-]c24)c(O)c(C(C)(C)C)c1.[Pt].
What is the InChIKey of 2,4-ditert-butyl-6-[3-(2,4-diphenylphenyl)-10-(4-phenyl-2-pyridinyl)-11H-imidazo[4,5-a]phenanthridin-11-id-2-yl]phenol;platinum?
The InChIKey is WJINYPYTWPIOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H47N4O.Pt/c1-56(2,3)43-33-46(54(62)47(34-43)57(4,5)6)55-60-53-51(61(55)50-26-24-39(36-16-10-7-11-17-36)30-44(50)38-20-14-9-15-21-38)27-25-48-52(53)45-31-41(22-23-42(45)35-59-48)49-32-40(28-29-58-49)37-18-12-8-13-19-37;/h7-30,32-35,62H,1-6H3;/q-1;.
What are the key properties of 2,4-ditert-butyl-6-[3-(2,4-diphenylphenyl)-10-(4-phenyl-2-pyridinyl)-11H-imidazo[4,5-a]phenanthridin-11-id-2-yl]phenol;platinum?
2,4-ditert-butyl-6-[3-(2,4-diphenylphenyl)-10-(4-phenyl-2-pyridinyl)-11H-imidazo[4,5-a]phenanthridin-11-id-2-yl]phenol;platinum has a molecular weight of 999.11 g/mol, XLogP of 14.56, 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-(2,4-diphenylphenyl)-10-(4-phenyl-2-pyridinyl)-11H-imidazo[4,5-a]phenanthridin-11-id-2-yl]phenol;platinum is sourced from PubChem (CID 164746164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).