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

C43H27N3OS — CID 170145436

IUPAC2-dibenzothiophen-1-yl-4-[4-(5,6-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
SMILESC1=Cc2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc6sc7ccccc7c56)n4)c4c3oc3ccccc34)ccc2CC1
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)34-24-23-30(29-22-21-26-11-4-5-14-28(26)25-29)40-39(34)31-15-6-8-18-35(31)47-40/h1-3,5-10,12-25H,4,11H2
InChIKeyRZWUQEWADYHZNH-UHFFFAOYSA-N
MW633.78 g/mol
LogP11.77
Rot. Bonds4

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

2-dibenzothiophen-1-yl-4-[4-(5,6-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine (PubChem CID 170145436) has the molecular formula C43H27N3OS and a molecular weight of 633.78 g/mol. Its IUPAC name is 2-dibenzothiophen-1-yl-4-[4-(5,6-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-1-yl-4-[4-(5,6-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
PubChem CID170145436
Molecular FormulaC43H27N3OS
Molecular Weight633.78 g/mol
Exact Mass633.19
IUPAC Name2-dibenzothiophen-1-yl-4-[4-(5,6-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
SMILESC1=Cc2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc6sc7ccccc7c56)n4)c4c3oc3ccccc34)ccc2CC1
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)34-24-23-30(29-22-21-26-11-4-5-14-28(26)25-29)40-39(34)31-15-6-8-18-35(31)47-40/h1-3,5-10,12-25H,4,11H2
InChIKeyRZWUQEWADYHZNH-UHFFFAOYSA-N
XLogP11.77
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.78
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-2-yl-4-[4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155079039
2-dibenzofuran-4-yl-4-[4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155079038
2-dibenzofuran-2-yl-4-[8-(8,9-dihydrodibenzothiophen-1-yl)dibenzofuran-1-yl]-6-(5,6-dihydronaphthalen-2-yl)-1,3,5-triazine
CID 170423903
2-dibenzofuran-1-yl-4-[6-(5,6-dihydronaphthalen-2-yl)naphthalen-2-yl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 170129630
2-(8-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine
CID 166742090
2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155078795
2-dibenzofuran-1-yl-4-(5,6-dihydronaphthalen-2-yl)-6-[4-(8-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 167007600
2-(4-dibenzothiophen-1-yldibenzofuran-1-yl)-4-(6,7-dihydrodibenzothiophen-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 171399298
2,4-di(dibenzothiophen-3-yl)-6-[8-(4-dibenzothiophen-3-yldibenzofuran-1-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 165166709
2-[3-(4-cyclohexa-1,3-dien-1-yldibenzofuran-1-yl)phenyl]-4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 167008116
2-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155079040
2-dibenzofuran-4-yl-4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine
CID 155050381

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-1-yl-4-[4-(5,6-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-1-yl-4-[4-(5,6-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine (CID 170145436) is 2-dibenzothiophen-1-yl-4-[4-(5,6-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-1-yl-4-[4-(5,6-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-1-yl-4-[4-(5,6-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine is C1=Cc2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc6sc7ccccc7c56)n4)c4c3oc3ccccc34)ccc2CC1.
What is the InChIKey of 2-dibenzothiophen-1-yl-4-[4-(5,6-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?
The InChIKey is RZWUQEWADYHZNH-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)34-24-23-30(29-22-21-26-11-4-5-14-28(26)25-29)40-39(34)31-15-6-8-18-35(31)47-40/h1-3,5-10,12-25H,4,11H2.
What are the key properties of 2-dibenzothiophen-1-yl-4-[4-(5,6-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?
2-dibenzothiophen-1-yl-4-[4-(5,6-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine has a molecular weight of 633.78 g/mol, XLogP of 11.77, 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-[4-(5,6-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 170145436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).