4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol

C33H23N3O2 — CID 135685720

IUPAC4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
SMILESOc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c(O)c1
InChIInChI=1S/C33H23N3O2/c37-28-19-20-29(30(38)21-28)33-35-31(26-15-11-24(12-16-26)22-7-3-1-4-8-22)34-32(36-33)27-17-13-25(14-18-27)23-9-5-2-6-10-23/h1-21,37-38H
InChIKeyRLTVFGXWHJQNHK-UHFFFAOYSA-N
MW493.57 g/mol
LogP7.62
Rot. Bonds5

About 4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol

4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol (PubChem CID 135685720) has the molecular formula C33H23N3O2 and a molecular weight of 493.57 g/mol. Its IUPAC name is 4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
PubChem CID135685720
Molecular FormulaC33H23N3O2
Molecular Weight493.57 g/mol
Exact Mass493.18
IUPAC Name4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
SMILESOc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c(O)c1
InChIInChI=1S/C33H23N3O2/c37-28-19-20-29(30(38)21-28)33-35-31(26-15-11-24(12-16-26)22-7-3-1-4-8-22)34-32(36-33)27-17-13-25(14-18-27)23-9-5-2-6-10-23/h1-21,37-38H
InChIKeyRLTVFGXWHJQNHK-UHFFFAOYSA-N
XLogP7.62
TPSA79.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.57
LogP ≤ 57.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol?
The IUPAC name of 4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol (CID 135685720) is 4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol?
The canonical SMILES for 4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol is Oc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c(O)c1.
What is the InChIKey of 4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol?
The InChIKey is RLTVFGXWHJQNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N3O2/c37-28-19-20-29(30(38)21-28)33-35-31(26-15-11-24(12-16-26)22-7-3-1-4-8-22)34-32(36-33)27-17-13-25(14-18-27)23-9-5-2-6-10-23/h1-21,37-38H.
What are the key properties of 4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol?
4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol has a molecular weight of 493.57 g/mol, XLogP of 7.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol is sourced from PubChem (CID 135685720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).