2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol;ethane

C43H53N3O — CID 136651088

IUPAC2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol;ethane
SMILESCC.CC.CC.CC.CC.Oc1ccccc1-c1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C33H23N3O.5C2H6/c37-30-14-8-7-13-29(30)33-35-31(27-19-15-25(16-20-27)23-9-3-1-4-10-23)34-32(36-33)28-21-17-26(18-22-28)24-11-5-2-6-12-24;5*1-2/h1-22,37H;5*1-2H3
InChIKeyQJRJFAATWQJWNG-UHFFFAOYSA-N
MW627.92 g/mol
LogP13.04
Rot. Bonds5

About 2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol;ethane

2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol;ethane (PubChem CID 136651088) has the molecular formula C43H53N3O and a molecular weight of 627.92 g/mol. Its IUPAC name is 2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol;ethane.

Molecular Properties

Compound Name2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol;ethane
PubChem CID136651088
Molecular FormulaC43H53N3O
Molecular Weight627.92 g/mol
Exact Mass627.42
IUPAC Name2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol;ethane
SMILESCC.CC.CC.CC.CC.Oc1ccccc1-c1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C33H23N3O.5C2H6/c37-30-14-8-7-13-29(30)33-35-31(27-19-15-25(16-20-27)23-9-3-1-4-10-23)34-32(36-33)28-21-17-26(18-22-28)24-11-5-2-6-12-24;5*1-2/h1-22,37H;5*1-2H3
InChIKeyQJRJFAATWQJWNG-UHFFFAOYSA-N
XLogP13.04
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.92
LogP ≤ 513.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;platinum
CID 135975715
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-[4-(2-methoxyphenyl)-6-(4-methylphenyl)-1,3,5-triazin-2-yl]phenol
CID 154527419
2-(2-bromophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155151393
2-[4-cyclohexa-2,4-dien-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol
CID 137091225
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methanidyloxyphenol;ethane;bis(yttrium)
CID 157410810
2-(4-phenylphenyl)-4-[2-(4-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052368
2-[4-[4-(hydroxymethyl)phenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol
CID 135597460
5-methoxy-2-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 143220402
2,4-bis[4-(2-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052493

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol;ethane?
The IUPAC name of 2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol;ethane (CID 136651088) is 2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol;ethane.
What is the SMILES notation for 2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol;ethane?
The canonical SMILES for 2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol;ethane is CC.CC.CC.CC.CC.Oc1ccccc1-c1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol;ethane?
The InChIKey is QJRJFAATWQJWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N3O.5C2H6/c37-30-14-8-7-13-29(30)33-35-31(27-19-15-25(16-20-27)23-9-3-1-4-10-23)34-32(36-33)28-21-17-26(18-22-28)24-11-5-2-6-12-24;5*1-2/h1-22,37H;5*1-2H3.
What are the key properties of 2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol;ethane?
2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol;ethane has a molecular weight of 627.92 g/mol, XLogP of 13.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol;ethane is sourced from PubChem (CID 136651088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).