2-(4-chlorodibenzofuran-1-yl)-4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazine

C37H20ClN3O2 — CID 166739267

IUPAC2-(4-chlorodibenzofuran-1-yl)-4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazine
SMILESClc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4oc5ccccc5c4c3)n2)c2c1oc1ccccc12
InChIInChI=1S/C37H20ClN3O2/c38-29-17-16-27(33-26-10-4-6-12-31(26)43-34(29)33)37-40-35(23-14-13-21-7-1-2-8-22(21)19-23)39-36(41-37)24-15-18-32-28(20-24)25-9-3-5-11-30(25)42-32/h1-20H
InChIKeyPRQFJJDTNWILGO-UHFFFAOYSA-N
MW574.04 g/mol
LogP10.48
Rot. Bonds3

About 2-(4-chlorodibenzofuran-1-yl)-4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazine

2-(4-chlorodibenzofuran-1-yl)-4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazine (PubChem CID 166739267) has the molecular formula C37H20ClN3O2 and a molecular weight of 574.04 g/mol. Its IUPAC name is 2-(4-chlorodibenzofuran-1-yl)-4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-chlorodibenzofuran-1-yl)-4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazine
PubChem CID166739267
Molecular FormulaC37H20ClN3O2
Molecular Weight574.04 g/mol
Exact Mass573.12
IUPAC Name2-(4-chlorodibenzofuran-1-yl)-4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazine
SMILESClc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4oc5ccccc5c4c3)n2)c2c1oc1ccccc12
InChIInChI=1S/C37H20ClN3O2/c38-29-17-16-27(33-26-10-4-6-12-31(26)43-34(29)33)37-40-35(23-14-13-21-7-1-2-8-22(21)19-23)39-36(41-37)24-15-18-32-28(20-24)25-9-3-5-11-30(25)42-32/h1-20H
InChIKeyPRQFJJDTNWILGO-UHFFFAOYSA-N
XLogP10.48
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.04
LogP ≤ 510.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorodibenzofuran-1-yl)-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 166743189
2-naphthalen-2-yl-4,6-bis(4-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 177112498
2-(4-dibenzofuran-3-yldibenzofuran-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 166741531
2-naphthalen-2-yl-4-(4-naphthalen-2-yldibenzofuran-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 166742221
2-dibenzofuran-2-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 166742865
2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-2-ylphenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(1-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 167614142
2-dibenzofuran-2-yl-4-[3-[4-(3,5-diphenylphenyl)dibenzofuran-1-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine
CID 166743068
2-dibenzofuran-2-yl-4-(3-dibenzofuran-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 171445256
2-dibenzofuran-2-yl-4-phenyl-6-[4-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742723
2-(4-chlorodibenzofuran-1-yl)-4-dibenzofuran-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 171587104
2-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741767
2-naphthalen-2-yl-4-(4-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 163627854

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorodibenzofuran-1-yl)-4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-(4-chlorodibenzofuran-1-yl)-4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazine (CID 166739267) is 2-(4-chlorodibenzofuran-1-yl)-4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-(4-chlorodibenzofuran-1-yl)-4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-(4-chlorodibenzofuran-1-yl)-4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazine is Clc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4oc5ccccc5c4c3)n2)c2c1oc1ccccc12.
What is the InChIKey of 2-(4-chlorodibenzofuran-1-yl)-4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazine?
The InChIKey is PRQFJJDTNWILGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H20ClN3O2/c38-29-17-16-27(33-26-10-4-6-12-31(26)43-34(29)33)37-40-35(23-14-13-21-7-1-2-8-22(21)19-23)39-36(41-37)24-15-18-32-28(20-24)25-9-3-5-11-30(25)42-32/h1-20H.
What are the key properties of 2-(4-chlorodibenzofuran-1-yl)-4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazine?
2-(4-chlorodibenzofuran-1-yl)-4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazine has a molecular weight of 574.04 g/mol, XLogP of 10.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorodibenzofuran-1-yl)-4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 166739267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).