2-chloro-4-(2-phenyldibenzofuran-4-yl)-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine

C37H22ClN3O — CID 177278863

IUPAC2-chloro-4-(2-phenyldibenzofuran-4-yl)-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine
SMILESClc1nc(-c2cc(-c3ccccc3)c3ccccc3c2)nc(-c2cc(-c3ccccc3)cc3c2oc2ccccc23)n1
InChIInChI=1S/C37H22ClN3O/c38-37-40-35(27-19-25-15-7-8-16-28(25)30(22-27)24-13-5-2-6-14-24)39-36(41-37)32-21-26(23-11-3-1-4-12-23)20-31-29-17-9-10-18-33(29)42-34(31)32/h1-22H
InChIKeyQFEBOKOGYLEDFJ-UHFFFAOYSA-N
MW560.06 g/mol
LogP10.25
Rot. Bonds4

About 2-chloro-4-(2-phenyldibenzofuran-4-yl)-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine

2-chloro-4-(2-phenyldibenzofuran-4-yl)-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine (PubChem CID 177278863) has the molecular formula C37H22ClN3O and a molecular weight of 560.06 g/mol. Its IUPAC name is 2-chloro-4-(2-phenyldibenzofuran-4-yl)-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(2-phenyldibenzofuran-4-yl)-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine
PubChem CID177278863
Molecular FormulaC37H22ClN3O
Molecular Weight560.06 g/mol
Exact Mass559.15
IUPAC Name2-chloro-4-(2-phenyldibenzofuran-4-yl)-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine
SMILESClc1nc(-c2cc(-c3ccccc3)c3ccccc3c2)nc(-c2cc(-c3ccccc3)cc3c2oc2ccccc23)n1
InChIInChI=1S/C37H22ClN3O/c38-37-40-35(27-19-25-15-7-8-16-28(25)30(22-27)24-13-5-2-6-14-24)39-36(41-37)32-21-26(23-11-3-1-4-12-23)20-31-29-17-9-10-18-33(29)42-34(31)32/h1-22H
InChIKeyQFEBOKOGYLEDFJ-UHFFFAOYSA-N
XLogP10.25
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.06
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diphenyl-6-[3-phenyl-5-(4-phenyldibenzofuran-2-yl)phenyl]-1,3,5-triazine
CID 146369018
2-dibenzofuran-4-yl-4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 155481098
2-dibenzofuran-4-yl-4-(4-phenylnaphthalen-1-yl)-6-[4-(4-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 155480745
2-dibenzofuran-4-yl-4-[4-(4-phenylnaphthalen-2-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 155763992
2-chloro-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-yl]phenyl]-1,3,5-triazine
CID 160760969
2-dibenzofuran-4-yl-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 139441684
2-chloro-4-(4-phenylnaphthalen-2-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 169302466
2-chloro-4-dibenzofuran-4-yl-6-[3-(8-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845014
2-chloro-4-dibenzofuran-2-yl-6-[3-(5-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845152
2-chloro-4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazine
CID 155758027
2,4-di(dibenzofuran-4-yl)-6-[2-naphthalen-1-yl-4-phenyl-6-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 167349118
2-chloro-4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)-1,3,5-triazine
CID 139330600

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-phenyldibenzofuran-4-yl)-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(2-phenyldibenzofuran-4-yl)-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine (CID 177278863) is 2-chloro-4-(2-phenyldibenzofuran-4-yl)-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(2-phenyldibenzofuran-4-yl)-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(2-phenyldibenzofuran-4-yl)-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine is Clc1nc(-c2cc(-c3ccccc3)c3ccccc3c2)nc(-c2cc(-c3ccccc3)cc3c2oc2ccccc23)n1.
What is the InChIKey of 2-chloro-4-(2-phenyldibenzofuran-4-yl)-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine?
The InChIKey is QFEBOKOGYLEDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22ClN3O/c38-37-40-35(27-19-25-15-7-8-16-28(25)30(22-27)24-13-5-2-6-14-24)39-36(41-37)32-21-26(23-11-3-1-4-12-23)20-31-29-17-9-10-18-33(29)42-34(31)32/h1-22H.
What are the key properties of 2-chloro-4-(2-phenyldibenzofuran-4-yl)-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine?
2-chloro-4-(2-phenyldibenzofuran-4-yl)-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine has a molecular weight of 560.06 g/mol, XLogP of 10.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-phenyldibenzofuran-4-yl)-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine is sourced from PubChem (CID 177278863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).