4-[1,1-bis(4-hydroxyphenyl)-1-(1,3,5-triazin-2-yl)pentan-2-yl]phenol

C26H25N3O3 — CID 23514228

IUPAC4-[1,1-bis(4-hydroxyphenyl)-1-(1,3,5-triazin-2-yl)pentan-2-yl]phenol
SMILESCCCC(c1ccc(O)cc1)C(c1ccc(O)cc1)(c1ccc(O)cc1)c1ncncn1
InChIInChI=1S/C26H25N3O3/c1-2-3-24(18-4-10-21(30)11-5-18)26(25-28-16-27-17-29-25,19-6-12-22(31)13-7-19)20-8-14-23(32)15-9-20/h4-17,24,30-32H,2-3H2,1H3
InChIKeyBOOMRDLEVPGQEW-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.91
Rot. Bonds7

About 4-[1,1-bis(4-hydroxyphenyl)-1-(1,3,5-triazin-2-yl)pentan-2-yl]phenol

4-[1,1-bis(4-hydroxyphenyl)-1-(1,3,5-triazin-2-yl)pentan-2-yl]phenol (PubChem CID 23514228) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 4-[1,1-bis(4-hydroxyphenyl)-1-(1,3,5-triazin-2-yl)pentan-2-yl]phenol.

Molecular Properties

Compound Name4-[1,1-bis(4-hydroxyphenyl)-1-(1,3,5-triazin-2-yl)pentan-2-yl]phenol
PubChem CID23514228
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name4-[1,1-bis(4-hydroxyphenyl)-1-(1,3,5-triazin-2-yl)pentan-2-yl]phenol
SMILESCCCC(c1ccc(O)cc1)C(c1ccc(O)cc1)(c1ccc(O)cc1)c1ncncn1
InChIInChI=1S/C26H25N3O3/c1-2-3-24(18-4-10-21(30)11-5-18)26(25-28-16-27-17-29-25,19-6-12-22(31)13-7-19)20-8-14-23(32)15-9-20/h4-17,24,30-32H,2-3H2,1H3
InChIKeyBOOMRDLEVPGQEW-UHFFFAOYSA-N
XLogP4.91
TPSA99.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1,1-bis(4-hydroxyphenyl)-1-(1,3,5-triazin-2-yl)pentan-2-yl]phenol?
The IUPAC name of 4-[1,1-bis(4-hydroxyphenyl)-1-(1,3,5-triazin-2-yl)pentan-2-yl]phenol (CID 23514228) is 4-[1,1-bis(4-hydroxyphenyl)-1-(1,3,5-triazin-2-yl)pentan-2-yl]phenol.
What is the SMILES notation for 4-[1,1-bis(4-hydroxyphenyl)-1-(1,3,5-triazin-2-yl)pentan-2-yl]phenol?
The canonical SMILES for 4-[1,1-bis(4-hydroxyphenyl)-1-(1,3,5-triazin-2-yl)pentan-2-yl]phenol is CCCC(c1ccc(O)cc1)C(c1ccc(O)cc1)(c1ccc(O)cc1)c1ncncn1.
What is the InChIKey of 4-[1,1-bis(4-hydroxyphenyl)-1-(1,3,5-triazin-2-yl)pentan-2-yl]phenol?
The InChIKey is BOOMRDLEVPGQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-2-3-24(18-4-10-21(30)11-5-18)26(25-28-16-27-17-29-25,19-6-12-22(31)13-7-19)20-8-14-23(32)15-9-20/h4-17,24,30-32H,2-3H2,1H3.
What are the key properties of 4-[1,1-bis(4-hydroxyphenyl)-1-(1,3,5-triazin-2-yl)pentan-2-yl]phenol?
4-[1,1-bis(4-hydroxyphenyl)-1-(1,3,5-triazin-2-yl)pentan-2-yl]phenol has a molecular weight of 427.50 g/mol, XLogP of 4.91, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,1-bis(4-hydroxyphenyl)-1-(1,3,5-triazin-2-yl)pentan-2-yl]phenol is sourced from PubChem (CID 23514228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).