2-[1,6-bis(4-tert-butylphenyl)-4-[3-(6-tert-butylquinolin-8-yl)-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4-tert-butylphenol;platinum

C62H62N3OPt- — CID 177110486

IUPAC2-[1,6-bis(4-tert-butylphenyl)-4-[3-(6-tert-butylquinolin-8-yl)-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4-tert-butylphenol;platinum
SMILESCC(C)(C)c1ccc(-c2cc(-c3[c-]c(-c4cc(C(C)(C)C)cc5cccnc45)cc(-c4ccccc4)c3)c3nc(-c4cc(C(C)(C)C)ccc4O)n(-c4ccc(C(C)(C)C)cc4)c3c2)cc1.[Pt]
InChIInChI=1S/C62H62N3O.Pt/c1-59(2,3)46-22-20-40(21-23-46)43-35-51(44-31-42(39-17-14-13-15-18-39)32-45(33-44)52-38-49(62(10,11)12)34-41-19-16-30-63-56(41)52)57-54(36-43)65(50-27-24-47(25-28-50)60(4,5)6)58(64-57)53-37-48(61(7,8)9)26-29-55(53)66;/h13-32,34-38,66H,1-12H3;/q-1;
InChIKeyQXDZAWPEDPWPQC-UHFFFAOYSA-N
MW1060.28 g/mol
LogP16.60
Rot. Bonds6

About 2-[1,6-bis(4-tert-butylphenyl)-4-[3-(6-tert-butylquinolin-8-yl)-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4-tert-butylphenol;platinum

2-[1,6-bis(4-tert-butylphenyl)-4-[3-(6-tert-butylquinolin-8-yl)-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4-tert-butylphenol;platinum (PubChem CID 177110486) has the molecular formula C62H62N3OPt- and a molecular weight of 1060.28 g/mol. Its IUPAC name is 2-[1,6-bis(4-tert-butylphenyl)-4-[3-(6-tert-butylquinolin-8-yl)-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4-tert-butylphenol;platinum.

Molecular Properties

Compound Name2-[1,6-bis(4-tert-butylphenyl)-4-[3-(6-tert-butylquinolin-8-yl)-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4-tert-butylphenol;platinum
PubChem CID177110486
Molecular FormulaC62H62N3OPt-
Molecular Weight1060.28 g/mol
Exact Mass1059.45
IUPAC Name2-[1,6-bis(4-tert-butylphenyl)-4-[3-(6-tert-butylquinolin-8-yl)-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4-tert-butylphenol;platinum
SMILESCC(C)(C)c1ccc(-c2cc(-c3[c-]c(-c4cc(C(C)(C)C)cc5cccnc45)cc(-c4ccccc4)c3)c3nc(-c4cc(C(C)(C)C)ccc4O)n(-c4ccc(C(C)(C)C)cc4)c3c2)cc1.[Pt]
InChIInChI=1S/C62H62N3O.Pt/c1-59(2,3)46-22-20-40(21-23-46)43-35-51(44-31-42(39-17-14-13-15-18-39)32-45(33-44)52-38-49(62(10,11)12)34-41-19-16-30-63-56(41)52)57-54(36-43)65(50-27-24-47(25-28-50)60(4,5)6)58(64-57)53-37-48(61(7,8)9)26-29-55(53)66;/h13-32,34-38,66H,1-12H3;/q-1;
InChIKeyQXDZAWPEDPWPQC-UHFFFAOYSA-N
XLogP16.60
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001060.28
LogP ≤ 516.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-2-[1-(4-tert-butylphenyl)-4-[3-(6-tert-butylquinolin-8-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 177110719
4-tert-butyl-2-[4-[3-(6-tert-butylquinolin-8-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum
CID 177110396
2-[4-[3-tert-butyl-5-(6-tert-butylquinolin-8-yl)benzene-6-id-1-yl]-1-(4-tert-butylphenyl)benzimidazol-2-yl]phenol;platinum
CID 177110645
2-[1-(4-tert-butylphenyl)-4-[3-(6-tert-butylquinolin-8-yl)phenyl]benzimidazol-2-yl]-4-phenylphenol
CID 177111005
2-[1-(4-tert-butylphenyl)-4-[3-(6-tert-butylquinolin-8-yl)benzene-2-id-1-yl]benzimidazol-2-yl]-4-(2,6-dimethylphenyl)phenol;platinum
CID 177110974
4-tert-butyl-2-[1-(4-tert-butylphenyl)-4-[3-(6-tert-butylquinolin-8-yl)-5-(2,6-dimethylphenyl)phenyl]-6-(2,6-dimethylphenyl)benzimidazol-2-yl]phenol
CID 177109874
2-[4-[3-tert-butyl-5-[6-[difluoro(phenyl)methyl]quinolin-8-yl]benzene-6-id-1-yl]-1-(4-tert-butylphenyl)benzimidazol-2-yl]phenol;platinum
CID 177110819
2-[1-(4-tert-butylphenyl)-4-[3-(6-tert-butylquinolin-8-yl)phenyl]benzimidazol-2-yl]-4-(2,6-dimethylphenyl)phenol
CID 177110975
4-tert-butyl-2-[4-[3-(6-tert-butylquinolin-8-yl)benzene-2-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;platinum
CID 177110751
4-tert-butyl-2-[1-phenyl-4-[3-(6-phenylquinolin-8-yl)-5-propan-2-ylphenyl]benzimidazol-2-yl]phenol
CID 177110662
4-tert-butyl-2-[4-[3-(6-tert-butyl-4-phenylquinolin-8-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum
CID 177110552
4-tert-butyl-2-[6-tert-butyl-4-[3-tert-butyl-5-(6-phenylquinolin-8-yl)benzene-6-id-1-yl]-1H-benzimidazol-2-yl]phenol;platinum
CID 177110544

Frequently Asked Questions

What is the IUPAC name of 2-[1,6-bis(4-tert-butylphenyl)-4-[3-(6-tert-butylquinolin-8-yl)-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4-tert-butylphenol;platinum?
The IUPAC name of 2-[1,6-bis(4-tert-butylphenyl)-4-[3-(6-tert-butylquinolin-8-yl)-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4-tert-butylphenol;platinum (CID 177110486) is 2-[1,6-bis(4-tert-butylphenyl)-4-[3-(6-tert-butylquinolin-8-yl)-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4-tert-butylphenol;platinum.
What is the SMILES notation for 2-[1,6-bis(4-tert-butylphenyl)-4-[3-(6-tert-butylquinolin-8-yl)-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4-tert-butylphenol;platinum?
The canonical SMILES for 2-[1,6-bis(4-tert-butylphenyl)-4-[3-(6-tert-butylquinolin-8-yl)-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4-tert-butylphenol;platinum is CC(C)(C)c1ccc(-c2cc(-c3[c-]c(-c4cc(C(C)(C)C)cc5cccnc45)cc(-c4ccccc4)c3)c3nc(-c4cc(C(C)(C)C)ccc4O)n(-c4ccc(C(C)(C)C)cc4)c3c2)cc1.[Pt].
What is the InChIKey of 2-[1,6-bis(4-tert-butylphenyl)-4-[3-(6-tert-butylquinolin-8-yl)-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4-tert-butylphenol;platinum?
The InChIKey is QXDZAWPEDPWPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H62N3O.Pt/c1-59(2,3)46-22-20-40(21-23-46)43-35-51(44-31-42(39-17-14-13-15-18-39)32-45(33-44)52-38-49(62(10,11)12)34-41-19-16-30-63-56(41)52)57-54(36-43)65(50-27-24-47(25-28-50)60(4,5)6)58(64-57)53-37-48(61(7,8)9)26-29-55(53)66;/h13-32,34-38,66H,1-12H3;/q-1;.
What are the key properties of 2-[1,6-bis(4-tert-butylphenyl)-4-[3-(6-tert-butylquinolin-8-yl)-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4-tert-butylphenol;platinum?
2-[1,6-bis(4-tert-butylphenyl)-4-[3-(6-tert-butylquinolin-8-yl)-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4-tert-butylphenol;platinum has a molecular weight of 1060.28 g/mol, XLogP of 16.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,6-bis(4-tert-butylphenyl)-4-[3-(6-tert-butylquinolin-8-yl)-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4-tert-butylphenol;platinum is sourced from PubChem (CID 177110486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).