2-[4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;platinum

C30H20N6O2Pt — CID 135975715

IUPAC2-[4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;platinum
SMILESOc1ccccc1-c1nc(-c2ccccc2)nc(-c2nc(-c3ccccc3)nc(-c3ccccc3O)n2)n1.[Pt]
InChIInChI=1S/C30H20N6O2.Pt/c37-23-17-9-7-15-21(23)27-31-25(19-11-3-1-4-12-19)33-29(35-27)30-34-26(20-13-5-2-6-14-20)32-28(36-30)22-16-8-10-18-24(22)38;/h1-18,37-38H;
InChIKeyMBTWWMLBGBTZCH-UHFFFAOYSA-N
MW691.61 g/mol
LogP5.80
Rot. Bonds5

About 2-[4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;platinum

2-[4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;platinum (PubChem CID 135975715) has the molecular formula C30H20N6O2Pt and a molecular weight of 691.61 g/mol. Its IUPAC name is 2-[4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;platinum.

Molecular Properties

Compound Name2-[4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;platinum
PubChem CID135975715
Molecular FormulaC30H20N6O2Pt
Molecular Weight691.61 g/mol
Exact Mass691.13
IUPAC Name2-[4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;platinum
SMILESOc1ccccc1-c1nc(-c2ccccc2)nc(-c2nc(-c3ccccc3)nc(-c3ccccc3O)n2)n1.[Pt]
InChIInChI=1S/C30H20N6O2.Pt/c37-23-17-9-7-15-21(23)27-31-25(19-11-3-1-4-12-19)33-29(35-27)30-34-26(20-13-5-2-6-14-20)32-28(36-30)22-16-8-10-18-24(22)38;/h1-18,37-38H;
InChIKeyMBTWWMLBGBTZCH-UHFFFAOYSA-N
XLogP5.80
TPSA117.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.61
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 135975716
2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol;ethane
CID 136651088
2-[4-[4-[4-(2-hydroxyphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenol
CID 136621403
4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-dimethoxyphenol
CID 143193670
2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129099147
2-(2-ethenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 146639140
2-[4-(2-methoxyphenyl)-6-(4-methylphenyl)-1,3,5-triazin-2-yl]phenol
CID 154527419
2-[4-cyclohexa-2,4-dien-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol
CID 137091225
2-(2,3-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171052479
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 122423525
2-[4-phenyl-6-(1-phenylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]phenol
CID 140983692
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methanidyloxyphenol;ethane;bis(yttrium)
CID 157410810

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;platinum?
The IUPAC name of 2-[4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;platinum (CID 135975715) is 2-[4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;platinum.
What is the SMILES notation for 2-[4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;platinum?
The canonical SMILES for 2-[4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;platinum is Oc1ccccc1-c1nc(-c2ccccc2)nc(-c2nc(-c3ccccc3)nc(-c3ccccc3O)n2)n1.[Pt].
What is the InChIKey of 2-[4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;platinum?
The InChIKey is MBTWWMLBGBTZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N6O2.Pt/c37-23-17-9-7-15-21(23)27-31-25(19-11-3-1-4-12-19)33-29(35-27)30-34-26(20-13-5-2-6-14-20)32-28(36-30)22-16-8-10-18-24(22)38;/h1-18,37-38H;.
What are the key properties of 2-[4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;platinum?
2-[4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;platinum has a molecular weight of 691.61 g/mol, XLogP of 5.80, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;platinum is sourced from PubChem (CID 135975715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).