[5-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4-dihydroxyphenyl]-phenylmethanone

C32H27N3O3 — CID 135843580

IUPAC[5-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4-dihydroxyphenyl]-phenylmethanone
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3cc(C(=O)c4ccccc4)c(O)cc3O)n2)c(C)c1
InChIInChI=1S/C32H27N3O3/c1-18-10-12-23(20(3)14-18)30-33-31(24-13-11-19(2)15-21(24)4)35-32(34-30)26-16-25(27(36)17-28(26)37)29(38)22-8-6-5-7-9-22/h5-17,36-37H,1-4H3
InChIKeyQNBMOSPYOAEHDK-UHFFFAOYSA-N
MW501.59 g/mol
LogP6.75
Rot. Bonds5

About [5-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4-dihydroxyphenyl]-phenylmethanone

[5-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4-dihydroxyphenyl]-phenylmethanone (PubChem CID 135843580) has the molecular formula C32H27N3O3 and a molecular weight of 501.59 g/mol. Its IUPAC name is [5-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4-dihydroxyphenyl]-phenylmethanone.

Molecular Properties

Compound Name[5-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4-dihydroxyphenyl]-phenylmethanone
PubChem CID135843580
Molecular FormulaC32H27N3O3
Molecular Weight501.59 g/mol
Exact Mass501.21
IUPAC Name[5-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4-dihydroxyphenyl]-phenylmethanone
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3cc(C(=O)c4ccccc4)c(O)cc3O)n2)c(C)c1
InChIInChI=1S/C32H27N3O3/c1-18-10-12-23(20(3)14-18)30-33-31(24-13-11-19(2)15-21(24)4)35-32(34-30)26-16-25(27(36)17-28(26)37)29(38)22-8-6-5-7-9-22/h5-17,36-37H,1-4H3
InChIKeyQNBMOSPYOAEHDK-UHFFFAOYSA-N
XLogP6.75
TPSA96.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.59
LogP ≤ 56.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [5-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4-dihydroxyphenyl]-phenylmethanone with MolForge

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Related Compounds

4-(benzenesulfonyl)-6-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
CID 135843587
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]phenol
CID 135671150
4-(benzenesulfinyl)-6-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
CID 135843605
4-[4-(2,4-dimethylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
CID 154233964
(5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone
CID 827958
(4-hydroxy-3-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl)-phenylmethanone
CID 70476179
2-benzoyl-5-methylbenzamide
CID 69123799
[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-phenylmethanone
CID 63524212
(4-hydroxy-2,5-dimethylphenyl)-phenylmethanone
CID 19026877
[3-(2,5-dimethylbenzoyl)phenyl]-phenylmethanone
CID 90191697
(2-hydroxy-5-methoxy-4-methylphenyl)-phenylmethanone;methane
CID 175255493
2-[4-(2,4-dimethylphenyl)-6-(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol;ethane
CID 135988448

Frequently Asked Questions

What is the IUPAC name of [5-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4-dihydroxyphenyl]-phenylmethanone?
The IUPAC name of [5-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4-dihydroxyphenyl]-phenylmethanone (CID 135843580) is [5-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4-dihydroxyphenyl]-phenylmethanone.
What is the SMILES notation for [5-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4-dihydroxyphenyl]-phenylmethanone?
The canonical SMILES for [5-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4-dihydroxyphenyl]-phenylmethanone is Cc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3cc(C(=O)c4ccccc4)c(O)cc3O)n2)c(C)c1.
What is the InChIKey of [5-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4-dihydroxyphenyl]-phenylmethanone?
The InChIKey is QNBMOSPYOAEHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N3O3/c1-18-10-12-23(20(3)14-18)30-33-31(24-13-11-19(2)15-21(24)4)35-32(34-30)26-16-25(27(36)17-28(26)37)29(38)22-8-6-5-7-9-22/h5-17,36-37H,1-4H3.
What are the key properties of [5-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4-dihydroxyphenyl]-phenylmethanone?
[5-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4-dihydroxyphenyl]-phenylmethanone has a molecular weight of 501.59 g/mol, XLogP of 6.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4-dihydroxyphenyl]-phenylmethanone is sourced from PubChem (CID 135843580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).