2-dibenzofuran-1-yl-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine

C37H21N3O2 — CID 163727437

IUPAC2-dibenzofuran-1-yl-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3cc5ccccc5cc34)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C37H21N3O2/c1-2-9-22(10-3-1)35-38-36(40-37(39-35)28-14-8-16-31-34(28)27-13-6-7-15-30(27)41-31)25-17-18-26-29-19-23-11-4-5-12-24(23)20-33(29)42-32(26)21-25/h1-21H
InChIKeyYMKYUHYTBFLXPC-UHFFFAOYSA-N
MW539.59 g/mol
LogP9.82
Rot. Bonds3

About 2-dibenzofuran-1-yl-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine

2-dibenzofuran-1-yl-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine (PubChem CID 163727437) has the molecular formula C37H21N3O2 and a molecular weight of 539.59 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine
PubChem CID163727437
Molecular FormulaC37H21N3O2
Molecular Weight539.59 g/mol
Exact Mass539.16
IUPAC Name2-dibenzofuran-1-yl-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3cc5ccccc5cc34)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C37H21N3O2/c1-2-9-22(10-3-1)35-38-36(40-37(39-35)28-14-8-16-31-34(28)27-13-6-7-15-30(27)41-31)25-17-18-26-29-19-23-11-4-5-12-24(23)20-33(29)42-32(26)21-25/h1-21H
InChIKeyYMKYUHYTBFLXPC-UHFFFAOYSA-N
XLogP9.82
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.59
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-dibenzofuran-1-yl-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzofuran-1-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 163570475
2,4-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 156522936
2-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 174198592
2-(9-naphtho[2,3-b][1]benzofuran-3-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 174316497
2-dibenzofuran-1-yl-4-[3-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163687766
2-dibenzofuran-1-yl-4-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163779888
2-(7-dibenzofuran-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741824
2-[9-(2-dibenzofuran-1-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 176773441
2-dibenzofuran-2-yl-4-(7-dibenzofuran-1-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742830
2-dibenzofuran-1-yl-4-(4-naphtho[6,7-b][1]benzofuran-10-ylphenyl)-6-phenyl-1,3,5-triazine
CID 177112850
2-(4-naphthalen-2-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 163570291
2-naphtho[3,2-b][1]benzofuran-8-yl-4-phenanthren-9-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 174198668

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine (CID 163727437) is 2-dibenzofuran-1-yl-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c(c3)oc3cc5ccccc5cc34)nc(-c3cccc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine?
The InChIKey is YMKYUHYTBFLXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21N3O2/c1-2-9-22(10-3-1)35-38-36(40-37(39-35)28-14-8-16-31-34(28)27-13-6-7-15-30(27)41-31)25-17-18-26-29-19-23-11-4-5-12-24(23)20-33(29)42-32(26)21-25/h1-21H.
What are the key properties of 2-dibenzofuran-1-yl-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine?
2-dibenzofuran-1-yl-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine has a molecular weight of 539.59 g/mol, XLogP of 9.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 163727437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).