6-chloro-2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine

C31H22ClN3O — CID 166801777

IUPAC6-chloro-2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESClC1=NC(c2ccccc2)NC(c2ccc(-c3cccc4oc5ccccc5c34)c3ccccc23)N1
InChIInChI=1S/C31H22ClN3O/c32-31-34-29(19-9-2-1-3-10-19)33-30(35-31)24-18-17-22(20-11-4-5-12-21(20)24)23-14-8-16-27-28(23)25-13-6-7-15-26(25)36-27/h1-18,29-30,33H,(H,34,35)
InChIKeyRIISYXHLWLQLJI-UHFFFAOYSA-N
MW487.99 g/mol
LogP7.89
Rot. Bonds3

About 6-chloro-2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine

6-chloro-2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 166801777) has the molecular formula C31H22ClN3O and a molecular weight of 487.99 g/mol. Its IUPAC name is 6-chloro-2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

Compound Name6-chloro-2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
PubChem CID166801777
Molecular FormulaC31H22ClN3O
Molecular Weight487.99 g/mol
Exact Mass487.15
IUPAC Name6-chloro-2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESClC1=NC(c2ccccc2)NC(c2ccc(-c3cccc4oc5ccccc5c34)c3ccccc23)N1
InChIInChI=1S/C31H22ClN3O/c32-31-34-29(19-9-2-1-3-10-19)33-30(35-31)24-18-17-22(20-11-4-5-12-21(20)24)23-14-8-16-27-28(23)25-13-6-7-15-26(25)36-27/h1-18,29-30,33H,(H,34,35)
InChIKeyRIISYXHLWLQLJI-UHFFFAOYSA-N
XLogP7.89
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.99
LogP ≤ 57.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

6-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]isoquinoline
CID 166800197
2-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167038129
4,6-diphenyl-2-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029875
4-[6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzofuro[2,3-c]pyridine
CID 163854354
2-chloro-6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazine
CID 118888315
12-[2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-3-methyl-6-phenyl-2,6-dihydro-1H-1,3,5-triazin-4-yl]-11-phenylindolo[2,3-a]carbazole
CID 163888894
6-phenanthren-3-yl-4-phenyl-2-[2-(4-phenyldibenzofuran-1-yl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029700
6-naphthalen-1-yl-4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 155382782
9-[4-phenyl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-c]pyridine
CID 166801692
2-[4-(6-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163865537
6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-dibenzothiophen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 170364065
2-(3-naphtho[2,1-b][1]benzofuran-5-yldibenzofuran-1-yl)-6-phenanthren-3-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029886

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The IUPAC name of 6-chloro-2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine (CID 166801777) is 6-chloro-2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine.
What is the SMILES notation for 6-chloro-2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The canonical SMILES for 6-chloro-2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine is ClC1=NC(c2ccccc2)NC(c2ccc(-c3cccc4oc5ccccc5c34)c3ccccc23)N1.
What is the InChIKey of 6-chloro-2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The InChIKey is RIISYXHLWLQLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22ClN3O/c32-31-34-29(19-9-2-1-3-10-19)33-30(35-31)24-18-17-22(20-11-4-5-12-21(20)24)23-14-8-16-27-28(23)25-13-6-7-15-26(25)36-27/h1-18,29-30,33H,(H,34,35).
What are the key properties of 6-chloro-2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
6-chloro-2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 487.99 g/mol, XLogP of 7.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 166801777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).