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

C38H38N3OPt- — CID 177110112

IUPAC4-tert-butyl-2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;platinum
SMILESCc1ccnc2c(-c3[c-]c(-c4cccc5c4nc(-c4cc(C(C)(C)C)ccc4O)n5C)ccc3)cc(C(C)(C)C)cc12.[Pt]
InChIInChI=1S/C38H38N3O.Pt/c1-23-17-18-39-34-29(23)21-27(38(5,6)7)22-30(34)25-12-9-11-24(19-25)28-13-10-14-32-35(28)40-36(41(32)8)31-20-26(37(2,3)4)15-16-33(31)42;/h9-18,20-22,42H,1-8H3;/q-1;
InChIKeyMYYSHDMADVUGQR-UHFFFAOYSA-N
MW747.82 g/mol
LogP9.53
Rot. Bonds3

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

4-tert-butyl-2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;platinum (PubChem CID 177110112) has the molecular formula C38H38N3OPt- and a molecular weight of 747.82 g/mol. Its IUPAC name is 4-tert-butyl-2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;platinum.

Molecular Properties

Compound Name4-tert-butyl-2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;platinum
PubChem CID177110112
Molecular FormulaC38H38N3OPt-
Molecular Weight747.82 g/mol
Exact Mass747.27
IUPAC Name4-tert-butyl-2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;platinum
SMILESCc1ccnc2c(-c3[c-]c(-c4cccc5c4nc(-c4cc(C(C)(C)C)ccc4O)n5C)ccc3)cc(C(C)(C)C)cc12.[Pt]
InChIInChI=1S/C38H38N3O.Pt/c1-23-17-18-39-34-29(23)21-27(38(5,6)7)22-30(34)25-12-9-11-24(19-25)28-13-10-14-32-35(28)40-36(41(32)8)31-20-26(37(2,3)4)15-16-33(31)42;/h9-18,20-22,42H,1-8H3;/q-1;
InChIKeyMYYSHDMADVUGQR-UHFFFAOYSA-N
XLogP9.53
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.82
LogP ≤ 59.53
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-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum
CID 177109975
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-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-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
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]-6-propan-2-yl-1,3-benzoxazol-2-yl]phenol;platinum
CID 177110116
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-[1-(4-tert-butylphenyl)-6-[difluoro(phenyl)methyl]-4-[3-(8-methyl-1,5-naphthyridin-4-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 177110275
2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)phenyl]-1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-methylphenol
CID 177110929
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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[4-[3-(6-tert-butyl-4-methylquinolin-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-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;platinum (CID 177110112) is 4-tert-butyl-2-[4-[3-(6-tert-butyl-4-methylquinolin-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-butyl-4-methylquinolin-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-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;platinum is Cc1ccnc2c(-c3[c-]c(-c4cccc5c4nc(-c4cc(C(C)(C)C)ccc4O)n5C)ccc3)cc(C(C)(C)C)cc12.[Pt].
What is the InChIKey of 4-tert-butyl-2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;platinum?
The InChIKey is MYYSHDMADVUGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38N3O.Pt/c1-23-17-18-39-34-29(23)21-27(38(5,6)7)22-30(34)25-12-9-11-24(19-25)28-13-10-14-32-35(28)40-36(41(32)8)31-20-26(37(2,3)4)15-16-33(31)42;/h9-18,20-22,42H,1-8H3;/q-1;.
What are the key properties of 4-tert-butyl-2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;platinum?
4-tert-butyl-2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;platinum has a molecular weight of 747.82 g/mol, XLogP of 9.53, 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-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 177110112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).