5-butan-2-yl-2-[2-[4-(5-butan-2-yl-2-hydroxyphenyl)-1-phenylimidazol-2-yl]-1-phenylimidazol-4-yl]phenol;platinum

C38H38N4O2Pt — CID 58162303

IUPAC5-butan-2-yl-2-[2-[4-(5-butan-2-yl-2-hydroxyphenyl)-1-phenylimidazol-2-yl]-1-phenylimidazol-4-yl]phenol;platinum
SMILESCCC(C)c1ccc(-c2cn(-c3ccccc3)c(-c3nc(-c4cc(C(C)CC)ccc4O)cn3-c3ccccc3)n2)c(O)c1.[Pt]
InChIInChI=1S/C38H38N4O2.Pt/c1-5-25(3)27-18-20-35(43)32(21-27)34-24-42(30-15-11-8-12-16-30)38(40-34)37-39-33(23-41(37)29-13-9-7-10-14-29)31-19-17-28(22-36(31)44)26(4)6-2;/h7-26,43-44H,5-6H2,1-4H3;
InChIKeyAICDJXAQASTHNB-UHFFFAOYSA-N
MW777.83 g/mol
LogP9.49
Rot. Bonds9

About 5-butan-2-yl-2-[2-[4-(5-butan-2-yl-2-hydroxyphenyl)-1-phenylimidazol-2-yl]-1-phenylimidazol-4-yl]phenol;platinum

5-butan-2-yl-2-[2-[4-(5-butan-2-yl-2-hydroxyphenyl)-1-phenylimidazol-2-yl]-1-phenylimidazol-4-yl]phenol;platinum (PubChem CID 58162303) has the molecular formula C38H38N4O2Pt and a molecular weight of 777.83 g/mol. Its IUPAC name is 5-butan-2-yl-2-[2-[4-(5-butan-2-yl-2-hydroxyphenyl)-1-phenylimidazol-2-yl]-1-phenylimidazol-4-yl]phenol;platinum.

Molecular Properties

Compound Name5-butan-2-yl-2-[2-[4-(5-butan-2-yl-2-hydroxyphenyl)-1-phenylimidazol-2-yl]-1-phenylimidazol-4-yl]phenol;platinum
PubChem CID58162303
Molecular FormulaC38H38N4O2Pt
Molecular Weight777.83 g/mol
Exact Mass777.26
IUPAC Name5-butan-2-yl-2-[2-[4-(5-butan-2-yl-2-hydroxyphenyl)-1-phenylimidazol-2-yl]-1-phenylimidazol-4-yl]phenol;platinum
SMILESCCC(C)c1ccc(-c2cn(-c3ccccc3)c(-c3nc(-c4cc(C(C)CC)ccc4O)cn3-c3ccccc3)n2)c(O)c1.[Pt]
InChIInChI=1S/C38H38N4O2.Pt/c1-5-25(3)27-18-20-35(43)32(21-27)34-24-42(30-15-11-8-12-16-30)38(40-34)37-39-33(23-41(37)29-13-9-7-10-14-29)31-19-17-28(22-36(31)44)26(4)6-2;/h7-26,43-44H,5-6H2,1-4H3;
InChIKeyAICDJXAQASTHNB-UHFFFAOYSA-N
XLogP9.49
TPSA76.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.83
LogP ≤ 59.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-Ditert-butyl-6-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-1-(trifluoromethyl)benzimidazol-2-yl]phenol;platinum
CID 164701419
2-[1-[3,5-Bis[4-(trifluoromethyl)phenyl]phenyl]-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;platinum
CID 167355646
2,4-Ditert-butyl-6-[1-tert-butyl-4-[3-tert-butyl-5-[4-[2-(2,2,2-trifluoroethyl)cyclopentyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 169302073
CID 171043828
CID 171043828
2,4-Ditert-butyl-6-[4-[3-tert-butyl-5-[9-(4-tert-butyl-2-phenylphenyl)-2-(trifluoromethyl)purin-8-yl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
CID 171052097
2,4-Ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[4-[2-(trifluoromethyl)phenyl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 172197532
2,4-Ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[4-phenyl-3-(trifluoromethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 172197587
2,4-Ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[4-phenyl-3-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 172197602
2,4-Ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[4-[2-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 172197823
1-[4-[3-Tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[2,6-di(propan-2-yl)phenyl]-6-(1,1,1-trifluoro-2-methylpropan-2-yl)benzimidazol-2-yl]naphthalen-2-ol;platinum
CID 177293820
Acetic acid;2,6-bis[[bis[[1-[(4-ethenylphenyl)methyl]benzimidazol-2-yl]methyl]amino]methyl]-4-methylphenol;manganese
CID 57540475
Platinum;7,7,16,16-tetramethyl-9,14-diphenyl-9,14,22,23-tetrazapentacyclo[15.3.1.12,6.18,11.112,15]tetracosa-1(21),2(24),3,5,8(23),10,12,15(22),17,19-decaene-21,24-diol
CID 57759303

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-[2-[4-(5-butan-2-yl-2-hydroxyphenyl)-1-phenylimidazol-2-yl]-1-phenylimidazol-4-yl]phenol;platinum?
The IUPAC name of 5-butan-2-yl-2-[2-[4-(5-butan-2-yl-2-hydroxyphenyl)-1-phenylimidazol-2-yl]-1-phenylimidazol-4-yl]phenol;platinum (CID 58162303) is 5-butan-2-yl-2-[2-[4-(5-butan-2-yl-2-hydroxyphenyl)-1-phenylimidazol-2-yl]-1-phenylimidazol-4-yl]phenol;platinum.
What is the SMILES notation for 5-butan-2-yl-2-[2-[4-(5-butan-2-yl-2-hydroxyphenyl)-1-phenylimidazol-2-yl]-1-phenylimidazol-4-yl]phenol;platinum?
The canonical SMILES for 5-butan-2-yl-2-[2-[4-(5-butan-2-yl-2-hydroxyphenyl)-1-phenylimidazol-2-yl]-1-phenylimidazol-4-yl]phenol;platinum is CCC(C)c1ccc(-c2cn(-c3ccccc3)c(-c3nc(-c4cc(C(C)CC)ccc4O)cn3-c3ccccc3)n2)c(O)c1.[Pt].
What is the InChIKey of 5-butan-2-yl-2-[2-[4-(5-butan-2-yl-2-hydroxyphenyl)-1-phenylimidazol-2-yl]-1-phenylimidazol-4-yl]phenol;platinum?
The InChIKey is AICDJXAQASTHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38N4O2.Pt/c1-5-25(3)27-18-20-35(43)32(21-27)34-24-42(30-15-11-8-12-16-30)38(40-34)37-39-33(23-41(37)29-13-9-7-10-14-29)31-19-17-28(22-36(31)44)26(4)6-2;/h7-26,43-44H,5-6H2,1-4H3;.
What are the key properties of 5-butan-2-yl-2-[2-[4-(5-butan-2-yl-2-hydroxyphenyl)-1-phenylimidazol-2-yl]-1-phenylimidazol-4-yl]phenol;platinum?
5-butan-2-yl-2-[2-[4-(5-butan-2-yl-2-hydroxyphenyl)-1-phenylimidazol-2-yl]-1-phenylimidazol-4-yl]phenol;platinum has a molecular weight of 777.83 g/mol, XLogP of 9.49, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-[2-[4-(5-butan-2-yl-2-hydroxyphenyl)-1-phenylimidazol-2-yl]-1-phenylimidazol-4-yl]phenol;platinum is sourced from PubChem (CID 58162303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).