2-(4-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine;prop-1-en-2-ol

C25H23N3O2 — CID 142176460

IUPAC2-(4-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine;prop-1-en-2-ol
SMILESC=C(C)O.COc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H17N3O.C3H6O/c1-26-19-14-12-18(13-15-19)22-24-20(16-8-4-2-5-9-16)23-21(25-22)17-10-6-3-7-11-17;1-3(2)4/h2-15H,1H3;4H,1H2,2H3
InChIKeyAMAUVJNUBAZSAP-UHFFFAOYSA-N
MW397.48 g/mol
LogP5.96
Rot. Bonds4

About 2-(4-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine;prop-1-en-2-ol

2-(4-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine;prop-1-en-2-ol (PubChem CID 142176460) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine;prop-1-en-2-ol.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine;prop-1-en-2-ol
PubChem CID142176460
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name2-(4-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine;prop-1-en-2-ol
SMILESC=C(C)O.COc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H17N3O.C3H6O/c1-26-19-14-12-18(13-15-19)22-24-20(16-8-4-2-5-9-16)23-21(25-22)17-10-6-3-7-11-17;1-3(2)4/h2-15H,1H3;4H,1H2,2H3
InChIKeyAMAUVJNUBAZSAP-UHFFFAOYSA-N
XLogP5.96
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine
CID 20652062
2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
CID 12706669
2-ethyl-4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazine
CID 171108749
5-methoxy-2-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 143220402
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
2,4-bis(4-tert-butylphenyl)-6-[4-(4-ethenylphenyl)phenyl]-1,3,5-triazine;2,4-bis[4-(4-tert-butylphenyl)phenyl]-6-[4-(4-ethenylphenyl)phenyl]-1,3,5-triazine;2-[4-(4-ethenylphenyl)phenyl]-4,6-bis[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine;2-[4-(4-ethenylphenyl)phenyl]-4,6-bis(4-methoxyphenyl)-1,3,5-triazine;2-[4-(4-ethenylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[4-(4-ethenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158211883
1-methoxy-4-phenylbenzene;4-(4-methoxyphenyl)phenol
CID 69347648
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
1-methoxy-4-phenylbenzene cyanide
CID 159561637
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
1-(4-methoxyphenyl)-2-methylidene-3-phenylpropane-1,3-dione
CID 15785953
2-[4-(4-ethenylphenyl)phenyl]-4,6-bis(4-methoxyphenyl)-1,3,5-triazine
CID 59439786

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine;prop-1-en-2-ol?
The IUPAC name of 2-(4-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine;prop-1-en-2-ol (CID 142176460) is 2-(4-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine;prop-1-en-2-ol.
What is the SMILES notation for 2-(4-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine;prop-1-en-2-ol?
The canonical SMILES for 2-(4-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine;prop-1-en-2-ol is C=C(C)O.COc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine;prop-1-en-2-ol?
The InChIKey is AMAUVJNUBAZSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O.C3H6O/c1-26-19-14-12-18(13-15-19)22-24-20(16-8-4-2-5-9-16)23-21(25-22)17-10-6-3-7-11-17;1-3(2)4/h2-15H,1H3;4H,1H2,2H3.
What are the key properties of 2-(4-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine;prop-1-en-2-ol?
2-(4-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine;prop-1-en-2-ol has a molecular weight of 397.48 g/mol, XLogP of 5.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine;prop-1-en-2-ol is sourced from PubChem (CID 142176460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).