2-(6,8-dipyridin-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine

C37H27N5O — CID 142343014

IUPAC2-(6,8-dipyridin-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3cccc4oc5c(-c6ccccn6)cc(-c6ccccn6)cc5c34)N2)cc1
InChIInChI=1S/C37H27N5O/c1-3-12-24(13-4-1)35-40-36(25-14-5-2-6-15-25)42-37(41-35)27-16-11-19-32-33(27)29-23-26(30-17-7-9-20-38-30)22-28(34(29)43-32)31-18-8-10-21-39-31/h1-23,35,37,41H,(H,40,42)
InChIKeyPCYQVRVVOLWZJH-UHFFFAOYSA-N
MW557.66 g/mol
LogP8.05
Rot. Bonds5

About 2-(6,8-dipyridin-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine

2-(6,8-dipyridin-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 142343014) has the molecular formula C37H27N5O and a molecular weight of 557.66 g/mol. Its IUPAC name is 2-(6,8-dipyridin-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

Compound Name2-(6,8-dipyridin-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
PubChem CID142343014
Molecular FormulaC37H27N5O
Molecular Weight557.66 g/mol
Exact Mass557.22
IUPAC Name2-(6,8-dipyridin-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3cccc4oc5c(-c6ccccn6)cc(-c6ccccn6)cc5c34)N2)cc1
InChIInChI=1S/C37H27N5O/c1-3-12-24(13-4-1)35-40-36(25-14-5-2-6-15-25)42-37(41-35)27-16-11-19-32-33(27)29-23-26(30-17-7-9-20-38-30)22-28(34(29)43-32)31-18-8-10-21-39-31/h1-23,35,37,41H,(H,40,42)
InChIKeyPCYQVRVVOLWZJH-UHFFFAOYSA-N
XLogP8.05
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.66
LogP ≤ 58.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-diphenyl-2-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029875
2-dibenzofuran-1-yl-4-(6-dibenzofuran-4-yldibenzothiophen-3-yl)-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 146544048
2-dibenzofuran-4-yl-6-(7-dibenzofuran-4-yldibenzothiophen-2-yl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 149480097
2-[4-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 156553978
4,6-diphenyl-2-(4-triphenylen-2-ylnaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 166696111
10-[6-(2-dibenzofuran-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline
CID 166800216
6-(8-dibenzofuran-3-yldibenzofuran-4-yl)-2-dibenzothiophen-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 146541783
6-phenanthren-3-yl-4-phenyl-2-[2-(4-phenyldibenzofuran-1-yl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029700
2-dibenzofuran-4-yl-6-(7-dibenzothiophen-4-yldibenzofuran-2-yl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 146541771
10-[2-(4-dibenzofuran-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-g]quinoline
CID 166800231
6-(3,5-diphenylphenyl)-2-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167132650
4-dibenzofuran-4-yl-6-phenanthren-2-yl-2-(8-phenyldibenzofuran-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029951

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dipyridin-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The IUPAC name of 2-(6,8-dipyridin-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine (CID 142343014) is 2-(6,8-dipyridin-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine.
What is the SMILES notation for 2-(6,8-dipyridin-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The canonical SMILES for 2-(6,8-dipyridin-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine is c1ccc(C2=NC(c3ccccc3)NC(c3cccc4oc5c(-c6ccccn6)cc(-c6ccccn6)cc5c34)N2)cc1.
What is the InChIKey of 2-(6,8-dipyridin-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The InChIKey is PCYQVRVVOLWZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27N5O/c1-3-12-24(13-4-1)35-40-36(25-14-5-2-6-15-25)42-37(41-35)27-16-11-19-32-33(27)29-23-26(30-17-7-9-20-38-30)22-28(34(29)43-32)31-18-8-10-21-39-31/h1-23,35,37,41H,(H,40,42).
What are the key properties of 2-(6,8-dipyridin-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
2-(6,8-dipyridin-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 557.66 g/mol, XLogP of 8.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dipyridin-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 142343014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).