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

C37H36N3OPt- — CID 177110751

IUPAC4-tert-butyl-2-[4-[3-(6-tert-butylquinolin-8-yl)benzene-2-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;platinum
SMILESCn1c(-c2cc(C(C)(C)C)ccc2O)nc2c(-c3[c-]c(-c4cc(C(C)(C)C)cc5cccnc45)ccc3)cccc21.[Pt]
InChIInChI=1S/C37H36N3O.Pt/c1-36(2,3)26-16-17-32(41)30(21-26)35-39-34-28(14-9-15-31(34)40(35)7)23-11-8-12-24(19-23)29-22-27(37(4,5)6)20-25-13-10-18-38-33(25)29;/h8-18,20-22,41H,1-7H3;/q-1;
InChIKeyQOGOVFAPIKBNRV-UHFFFAOYSA-N
MW733.79 g/mol
LogP9.22
Rot. Bonds3

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

4-tert-butyl-2-[4-[3-(6-tert-butylquinolin-8-yl)benzene-2-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;platinum (PubChem CID 177110751) has the molecular formula C37H36N3OPt- and a molecular weight of 733.79 g/mol. Its IUPAC name is 4-tert-butyl-2-[4-[3-(6-tert-butylquinolin-8-yl)benzene-2-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;platinum.

Molecular Properties

Compound Name4-tert-butyl-2-[4-[3-(6-tert-butylquinolin-8-yl)benzene-2-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;platinum
PubChem CID177110751
Molecular FormulaC37H36N3OPt-
Molecular Weight733.79 g/mol
Exact Mass733.25
IUPAC Name4-tert-butyl-2-[4-[3-(6-tert-butylquinolin-8-yl)benzene-2-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;platinum
SMILESCn1c(-c2cc(C(C)(C)C)ccc2O)nc2c(-c3[c-]c(-c4cc(C(C)(C)C)cc5cccnc45)ccc3)cccc21.[Pt]
InChIInChI=1S/C37H36N3O.Pt/c1-36(2,3)26-16-17-32(41)30(21-26)35-39-34-28(14-9-15-31(34)40(35)7)23-11-8-12-24(19-23)29-22-27(37(4,5)6)20-25-13-10-18-38-33(25)29;/h8-18,20-22,41H,1-7H3;/q-1;
InChIKeyQOGOVFAPIKBNRV-UHFFFAOYSA-N
XLogP9.22
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.79
LogP ≤ 59.22
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-methyl-4-[3-[6-(trideuteriomethyl)quinolin-8-yl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 177110679
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-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;platinum
CID 177110112
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
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
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
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
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-[1,6-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
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-[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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[4-[3-(6-tert-butylquinolin-8-yl)benzene-2-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;platinum?
The IUPAC name of 4-tert-butyl-2-[4-[3-(6-tert-butylquinolin-8-yl)benzene-2-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;platinum (CID 177110751) is 4-tert-butyl-2-[4-[3-(6-tert-butylquinolin-8-yl)benzene-2-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;platinum.
What is the SMILES notation for 4-tert-butyl-2-[4-[3-(6-tert-butylquinolin-8-yl)benzene-2-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;platinum?
The canonical SMILES for 4-tert-butyl-2-[4-[3-(6-tert-butylquinolin-8-yl)benzene-2-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;platinum is Cn1c(-c2cc(C(C)(C)C)ccc2O)nc2c(-c3[c-]c(-c4cc(C(C)(C)C)cc5cccnc45)ccc3)cccc21.[Pt].
What is the InChIKey of 4-tert-butyl-2-[4-[3-(6-tert-butylquinolin-8-yl)benzene-2-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;platinum?
The InChIKey is QOGOVFAPIKBNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36N3O.Pt/c1-36(2,3)26-16-17-32(41)30(21-26)35-39-34-28(14-9-15-31(34)40(35)7)23-11-8-12-24(19-23)29-22-27(37(4,5)6)20-25-13-10-18-38-33(25)29;/h8-18,20-22,41H,1-7H3;/q-1;.
What are the key properties of 4-tert-butyl-2-[4-[3-(6-tert-butylquinolin-8-yl)benzene-2-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;platinum?
4-tert-butyl-2-[4-[3-(6-tert-butylquinolin-8-yl)benzene-2-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;platinum has a molecular weight of 733.79 g/mol, XLogP of 9.22, 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-[4-[3-(6-tert-butylquinolin-8-yl)benzene-2-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 177110751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).