2-dibenzothiophen-1-yl-4-(2-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine

C43H27N3OS — CID 167007481

IUPAC2-dibenzothiophen-1-yl-4-(2-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
SMILESC1=CC2Oc3ccccc3C2C(c2nc(-c3ccccc3)nc(-c3cccc4sc5ccccc5c34)n2)=C1c1ccc2ccccc2c1
InChIInChI=1S/C43H27N3OS/c1-2-12-27(13-3-1)41-44-42(33-17-10-20-37-38(33)32-16-7-9-19-36(32)48-37)46-43(45-41)40-30(29-22-21-26-11-4-5-14-28(26)25-29)23-24-35-39(40)31-15-6-8-18-34(31)47-35/h1-25,35,39H
InChIKeyQAXQIGWCWGGVRX-UHFFFAOYSA-N
MW633.78 g/mol
LogP10.75
Rot. Bonds4

About 2-dibenzothiophen-1-yl-4-(2-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine

2-dibenzothiophen-1-yl-4-(2-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine (PubChem CID 167007481) has the molecular formula C43H27N3OS and a molecular weight of 633.78 g/mol. Its IUPAC name is 2-dibenzothiophen-1-yl-4-(2-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-1-yl-4-(2-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
PubChem CID167007481
Molecular FormulaC43H27N3OS
Molecular Weight633.78 g/mol
Exact Mass633.19
IUPAC Name2-dibenzothiophen-1-yl-4-(2-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
SMILESC1=CC2Oc3ccccc3C2C(c2nc(-c3ccccc3)nc(-c3cccc4sc5ccccc5c34)n2)=C1c1ccc2ccccc2c1
InChIInChI=1S/C43H27N3OS/c1-2-12-27(13-3-1)41-44-42(33-17-10-20-37-38(33)32-16-7-9-19-36(32)48-37)46-43(45-41)40-30(29-22-21-26-11-4-5-14-28(26)25-29)23-24-35-39(40)31-15-6-8-18-34(31)47-35/h1-25,35,39H
InChIKeyQAXQIGWCWGGVRX-UHFFFAOYSA-N
XLogP10.75
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.78
LogP ≤ 510.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzothiophen-3-yl-4-(2-dibenzothiophen-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 170423969
2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 177119775
2-(4-cyclohexa-1,3-dien-5-yn-1-ylphenyl)-4-dibenzothiophen-1-yl-6-[2-[8-[9-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzothiophen-3-yl]dibenzofuran-4-yl]-4a,9b-dihydrodibenzofuran-1-yl]-1,3,5-triazine
CID 167007984
2-dibenzothiophen-1-yl-4-phenyl-6-(8-phenyl-4a,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine
CID 170011216
2-dibenzothiophen-1-yl-4-(9-phenyl-5a,9a-dihydrodibenzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 142615286
2-dibenzothiophen-1-yl-4-(7-naphthalen-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176588371
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(7-phenyldibenzothiophen-1-yl)-1,3,5-triazine
CID 154934432
2-(4-dibenzothiophen-1-ylphenyl)-4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 159324879
2-(3-dibenzothiophen-1-ylphenyl)-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 139304442
2-(8-dibenzothiophen-1-ylnaphthalen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 146367339
2-[2-(4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166741609
2,4-di(dibenzothiophen-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 139304948

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-1-yl-4-(2-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-1-yl-4-(2-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine (CID 167007481) is 2-dibenzothiophen-1-yl-4-(2-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-1-yl-4-(2-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-1-yl-4-(2-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine is C1=CC2Oc3ccccc3C2C(c2nc(-c3ccccc3)nc(-c3cccc4sc5ccccc5c34)n2)=C1c1ccc2ccccc2c1.
What is the InChIKey of 2-dibenzothiophen-1-yl-4-(2-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is QAXQIGWCWGGVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3OS/c1-2-12-27(13-3-1)41-44-42(33-17-10-20-37-38(33)32-16-7-9-19-36(32)48-37)46-43(45-41)40-30(29-22-21-26-11-4-5-14-28(26)25-29)23-24-35-39(40)31-15-6-8-18-34(31)47-35/h1-25,35,39H.
What are the key properties of 2-dibenzothiophen-1-yl-4-(2-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
2-dibenzothiophen-1-yl-4-(2-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 633.78 g/mol, XLogP of 10.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-1-yl-4-(2-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 167007481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).