N-(4,6-diphenyl-1,3,5-triazin-2-yl)but-3-en-2-imine

C19H16N4 — CID 123420361

IUPACN-(4,6-diphenyl-1,3,5-triazin-2-yl)but-3-en-2-imine
SMILESC=CC(C)=Nc1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C19H16N4/c1-3-14(2)20-19-22-17(15-10-6-4-7-11-15)21-18(23-19)16-12-8-5-9-13-16/h3-13H,1H2,2H3
InChIKeyIICBKRDMJPPKHQ-UHFFFAOYSA-N
MW300.37 g/mol
LogP4.48
Rot. Bonds4

About N-(4,6-diphenyl-1,3,5-triazin-2-yl)but-3-en-2-imine

N-(4,6-diphenyl-1,3,5-triazin-2-yl)but-3-en-2-imine (PubChem CID 123420361) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is N-(4,6-diphenyl-1,3,5-triazin-2-yl)but-3-en-2-imine.

Molecular Properties

Compound NameN-(4,6-diphenyl-1,3,5-triazin-2-yl)but-3-en-2-imine
PubChem CID123420361
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC NameN-(4,6-diphenyl-1,3,5-triazin-2-yl)but-3-en-2-imine
SMILESC=CC(C)=Nc1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C19H16N4/c1-3-14(2)20-19-22-17(15-10-6-4-7-11-15)21-18(23-19)16-12-8-5-9-13-16/h3-13H,1H2,2H3
InChIKeyIICBKRDMJPPKHQ-UHFFFAOYSA-N
XLogP4.48
TPSA51.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-phenylphenyl)but-3-en-2-imine
CID 123871939
2-[(3E)-hexa-1,3,5-trien-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 134447786
2-(4-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine;prop-1-en-2-ol
CID 142176460
2-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazine
CID 145390977
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-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol;ethane
CID 136651088
2-(2-ethenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 146639140
(3E)-4-[(4,6-diphenyl-1,3,5-triazin-2-yl)-prop-1-en-2-ylamino]penta-1,3-dien-2-ol
CID 144914672
2,4-diphenyl-6-[4-[2-[4-(4-phenylphenyl)phenyl]propan-2-yl]phenyl]-1,3,5-triazine
CID 121315550
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-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-4-(3-methylphenyl)-6-phenyl-1,3,5-triazine
CID 144834616
2,4-bis(4-tert-butylphenyl)-6-[4-(4-ethenylphenyl)phenyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-(4-ethenylphenyl)-1,3,5-triazine;2-(4-ethenylphenyl)-4,6-diphenyl-1,3,5-triazine;2-[4-(4-ethenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158510464

Frequently Asked Questions

What is the IUPAC name of N-(4,6-diphenyl-1,3,5-triazin-2-yl)but-3-en-2-imine?
The IUPAC name of N-(4,6-diphenyl-1,3,5-triazin-2-yl)but-3-en-2-imine (CID 123420361) is N-(4,6-diphenyl-1,3,5-triazin-2-yl)but-3-en-2-imine.
What is the SMILES notation for N-(4,6-diphenyl-1,3,5-triazin-2-yl)but-3-en-2-imine?
The canonical SMILES for N-(4,6-diphenyl-1,3,5-triazin-2-yl)but-3-en-2-imine is C=CC(C)=Nc1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of N-(4,6-diphenyl-1,3,5-triazin-2-yl)but-3-en-2-imine?
The InChIKey is IICBKRDMJPPKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4/c1-3-14(2)20-19-22-17(15-10-6-4-7-11-15)21-18(23-19)16-12-8-5-9-13-16/h3-13H,1H2,2H3.
What are the key properties of N-(4,6-diphenyl-1,3,5-triazin-2-yl)but-3-en-2-imine?
N-(4,6-diphenyl-1,3,5-triazin-2-yl)but-3-en-2-imine has a molecular weight of 300.37 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-diphenyl-1,3,5-triazin-2-yl)but-3-en-2-imine is sourced from PubChem (CID 123420361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).