4-tert-butyl-2-[1-tert-butyl-4-[3-(6-tert-butyl-3-methylquinolin-8-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum

C41H44N3OPt- — CID 177110516

IUPAC4-tert-butyl-2-[1-tert-butyl-4-[3-(6-tert-butyl-3-methylquinolin-8-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
SMILESCc1cnc2c(-c3[c-]c(-c4cccc5c4nc(-c4cc(C(C)(C)C)ccc4O)n5C(C)(C)C)ccc3)cc(C(C)(C)C)cc2c1.[Pt]
InChIInChI=1S/C41H44N3O.Pt/c1-25-19-28-21-30(40(5,6)7)23-32(36(28)42-24-25)27-14-11-13-26(20-27)31-15-12-16-34-37(31)43-38(44(34)41(8,9)10)33-22-29(39(2,3)4)17-18-35(33)45;/h11-19,21-24,45H,1-10H3;/q-1;
InChIKeyBDILEHJYNLFLGJ-UHFFFAOYSA-N
MW789.90 g/mol
LogP10.75
Rot. Bonds3

About 4-tert-butyl-2-[1-tert-butyl-4-[3-(6-tert-butyl-3-methylquinolin-8-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum

4-tert-butyl-2-[1-tert-butyl-4-[3-(6-tert-butyl-3-methylquinolin-8-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 177110516) has the molecular formula C41H44N3OPt- and a molecular weight of 789.90 g/mol. Its IUPAC name is 4-tert-butyl-2-[1-tert-butyl-4-[3-(6-tert-butyl-3-methylquinolin-8-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

Compound Name4-tert-butyl-2-[1-tert-butyl-4-[3-(6-tert-butyl-3-methylquinolin-8-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
PubChem CID177110516
Molecular FormulaC41H44N3OPt-
Molecular Weight789.90 g/mol
Exact Mass789.31
IUPAC Name4-tert-butyl-2-[1-tert-butyl-4-[3-(6-tert-butyl-3-methylquinolin-8-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
SMILESCc1cnc2c(-c3[c-]c(-c4cccc5c4nc(-c4cc(C(C)(C)C)ccc4O)n5C(C)(C)C)ccc3)cc(C(C)(C)C)cc2c1.[Pt]
InChIInChI=1S/C41H44N3O.Pt/c1-25-19-28-21-30(40(5,6)7)23-32(36(28)42-24-25)27-14-11-13-26(20-27)31-15-12-16-34-37(31)43-38(44(34)41(8,9)10)33-22-29(39(2,3)4)17-18-35(33)45;/h11-19,21-24,45H,1-10H3;/q-1;
InChIKeyBDILEHJYNLFLGJ-UHFFFAOYSA-N
XLogP10.75
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.90
LogP ≤ 510.75
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-[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-(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
4-tert-butyl-2-[1-methyl-4-[3-[6-(trideuteriomethyl)quinolin-8-yl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 177110679
4-tert-butyl-2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;platinum
CID 177110112
4-tert-butyl-2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum
CID 177109975
4-tert-butyl-2-[1-tert-butyl-4-[3-[6-(trideuteriomethyl)quinolin-8-yl]phenyl]benzimidazol-2-yl]phenol
CID 177111037
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-[4-[3-(6-tert-butyl-4-phenylquinolin-8-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum
CID 177110552
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-butyl-4-propan-2-ylquinolin-8-yl)benzene-2-id-1-yl]benzimidazol-2-yl]-4-methylphenol;platinum
CID 177110175
4-tert-butyl-2-[1-tert-butyl-4-[3-tert-butyl-5-(4-tert-butyl-6-pyridin-4-ylquinolin-8-yl)phenyl]benzimidazol-2-yl]phenol
CID 177110284

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[1-tert-butyl-4-[3-(6-tert-butyl-3-methylquinolin-8-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?
The IUPAC name of 4-tert-butyl-2-[1-tert-butyl-4-[3-(6-tert-butyl-3-methylquinolin-8-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 177110516) is 4-tert-butyl-2-[1-tert-butyl-4-[3-(6-tert-butyl-3-methylquinolin-8-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.
What is the SMILES notation for 4-tert-butyl-2-[1-tert-butyl-4-[3-(6-tert-butyl-3-methylquinolin-8-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?
The canonical SMILES for 4-tert-butyl-2-[1-tert-butyl-4-[3-(6-tert-butyl-3-methylquinolin-8-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is Cc1cnc2c(-c3[c-]c(-c4cccc5c4nc(-c4cc(C(C)(C)C)ccc4O)n5C(C)(C)C)ccc3)cc(C(C)(C)C)cc2c1.[Pt].
What is the InChIKey of 4-tert-butyl-2-[1-tert-butyl-4-[3-(6-tert-butyl-3-methylquinolin-8-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?
The InChIKey is BDILEHJYNLFLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H44N3O.Pt/c1-25-19-28-21-30(40(5,6)7)23-32(36(28)42-24-25)27-14-11-13-26(20-27)31-15-12-16-34-37(31)43-38(44(34)41(8,9)10)33-22-29(39(2,3)4)17-18-35(33)45;/h11-19,21-24,45H,1-10H3;/q-1;.
What are the key properties of 4-tert-butyl-2-[1-tert-butyl-4-[3-(6-tert-butyl-3-methylquinolin-8-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?
4-tert-butyl-2-[1-tert-butyl-4-[3-(6-tert-butyl-3-methylquinolin-8-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 789.90 g/mol, XLogP of 10.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[1-tert-butyl-4-[3-(6-tert-butyl-3-methylquinolin-8-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 177110516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).