2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-(1,2-dihydronaphthalen-2-yl)-1,3,5-triazine

C37H23N3OS — CID 170123189

IUPAC2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-(1,2-dihydronaphthalen-2-yl)-1,3,5-triazine
SMILESC1=CC(c2nc(-c3cccc4oc5ccccc5c34)nc(-c3cccc4sc5ccccc5c34)n2)Cc2ccccc21
InChIInChI=1S/C37H23N3OS/c1-2-10-23-21-24(20-19-22(23)9-1)35-38-36(27-13-7-16-30-33(27)25-11-3-5-15-29(25)41-30)40-37(39-35)28-14-8-18-32-34(28)26-12-4-6-17-31(26)42-32/h1-20,24H,21H2
InChIKeyPWMVQZHICYVTIM-UHFFFAOYSA-N
MW557.68 g/mol
LogP9.83
Rot. Bonds3

About 2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-(1,2-dihydronaphthalen-2-yl)-1,3,5-triazine

2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-(1,2-dihydronaphthalen-2-yl)-1,3,5-triazine (PubChem CID 170123189) has the molecular formula C37H23N3OS and a molecular weight of 557.68 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-(1,2-dihydronaphthalen-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-(1,2-dihydronaphthalen-2-yl)-1,3,5-triazine
PubChem CID170123189
Molecular FormulaC37H23N3OS
Molecular Weight557.68 g/mol
Exact Mass557.16
IUPAC Name2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-(1,2-dihydronaphthalen-2-yl)-1,3,5-triazine
SMILESC1=CC(c2nc(-c3cccc4oc5ccccc5c34)nc(-c3cccc4sc5ccccc5c34)n2)Cc2ccccc21
InChIInChI=1S/C37H23N3OS/c1-2-10-23-21-24(20-19-22(23)9-1)35-38-36(27-13-7-16-30-33(27)25-11-3-5-15-29(25)41-30)40-37(39-35)28-14-8-18-32-34(28)26-12-4-6-17-31(26)42-32/h1-20,24H,21H2
InChIKeyPWMVQZHICYVTIM-UHFFFAOYSA-N
XLogP9.83
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.68
LogP ≤ 59.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(7-dibenzofuran-1-yl-1,2-dihydronaphthalen-2-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 167182670
2-(3-dibenzofuran-1-yldibenzofuran-1-yl)-4-(1,2-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 170009033
2-(3-dibenzofuran-1-ylphenyl)-4-(1,2-dihydronaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 167008024
2-(1,2-dihydronaphthalen-2-yl)-4-(4-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170422642
2-(1,2-dihydronaphthalen-2-yl)-4-(9-naphtho[1,2-b][1]benzofuran-6-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170009870
2-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-4-(1,2-dihydronaphthalen-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 170013631
2-(1,2-dihydronaphthalen-2-yl)-4-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167007887
2-dibenzofuran-1-yl-4-phenyl-6-(9-phenyl-3,4-dihydrophenanthren-3-yl)-1,3,5-triazine
CID 174316211
2-[9-(2-dibenzofuran-1-ylphenyl)-3,4-dihydrodibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170192008
2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-(1,2-dihydrodibenzothiophen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 166741701
2-(8-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine
CID 166742090
2-benzo[g]phenanthren-4-yl-4-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-1,3,5-triazine
CID 170015313

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-(1,2-dihydronaphthalen-2-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-(1,2-dihydronaphthalen-2-yl)-1,3,5-triazine (CID 170123189) is 2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-(1,2-dihydronaphthalen-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-(1,2-dihydronaphthalen-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-(1,2-dihydronaphthalen-2-yl)-1,3,5-triazine is C1=CC(c2nc(-c3cccc4oc5ccccc5c34)nc(-c3cccc4sc5ccccc5c34)n2)Cc2ccccc21.
What is the InChIKey of 2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-(1,2-dihydronaphthalen-2-yl)-1,3,5-triazine?
The InChIKey is PWMVQZHICYVTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3OS/c1-2-10-23-21-24(20-19-22(23)9-1)35-38-36(27-13-7-16-30-33(27)25-11-3-5-15-29(25)41-30)40-37(39-35)28-14-8-18-32-34(28)26-12-4-6-17-31(26)42-32/h1-20,24H,21H2.
What are the key properties of 2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-(1,2-dihydronaphthalen-2-yl)-1,3,5-triazine?
2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-(1,2-dihydronaphthalen-2-yl)-1,3,5-triazine has a molecular weight of 557.68 g/mol, XLogP of 9.83, 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-dibenzothiophen-1-yl-6-(1,2-dihydronaphthalen-2-yl)-1,3,5-triazine is sourced from PubChem (CID 170123189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).