2-dibenzofuran-4-yl-4-phenyl-6-(4-thiahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(23),2(14),3(11),5,7,9,12,15,17,19,21-undecaen-20-yl)-1,3,5-triazine

C43H23N3OS — CID 166846437

IUPAC2-dibenzofuran-4-yl-4-phenyl-6-(4-thiahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(23),2(14),3(11),5,7,9,12,15,17,19,21-undecaen-20-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c5c(cccc35)-c3ccc5c(sc6ccccc65)c3-4)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C43H23N3OS/c1-2-10-24(11-3-1)41-44-42(46-43(45-41)34-17-9-16-30-25-12-4-6-18-35(25)47-39(30)34)32-22-23-33-37-27(14-8-15-28(32)37)29-20-21-31-26-13-5-7-19-36(26)48-40(31)38(29)33/h1-23H
InChIKeyFOTOYQATSNJSBR-UHFFFAOYSA-N
MW629.74 g/mol
LogP11.94
Rot. Bonds3

About 2-dibenzofuran-4-yl-4-phenyl-6-(4-thiahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(23),2(14),3(11),5,7,9,12,15,17,19,21-undecaen-20-yl)-1,3,5-triazine

2-dibenzofuran-4-yl-4-phenyl-6-(4-thiahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(23),2(14),3(11),5,7,9,12,15,17,19,21-undecaen-20-yl)-1,3,5-triazine (PubChem CID 166846437) has the molecular formula C43H23N3OS and a molecular weight of 629.74 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-phenyl-6-(4-thiahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(23),2(14),3(11),5,7,9,12,15,17,19,21-undecaen-20-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-phenyl-6-(4-thiahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(23),2(14),3(11),5,7,9,12,15,17,19,21-undecaen-20-yl)-1,3,5-triazine
PubChem CID166846437
Molecular FormulaC43H23N3OS
Molecular Weight629.74 g/mol
Exact Mass629.16
IUPAC Name2-dibenzofuran-4-yl-4-phenyl-6-(4-thiahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(23),2(14),3(11),5,7,9,12,15,17,19,21-undecaen-20-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c5c(cccc35)-c3ccc5c(sc6ccccc65)c3-4)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C43H23N3OS/c1-2-10-24(11-3-1)41-44-42(46-43(45-41)34-17-9-16-30-25-12-4-6-18-35(25)47-39(30)34)32-22-23-33-37-27(14-8-15-28(32)37)29-20-21-31-26-13-5-7-19-36(26)48-40(31)38(29)33/h1-23H
InChIKeyFOTOYQATSNJSBR-UHFFFAOYSA-N
XLogP11.94
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.74
LogP ≤ 511.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-dibenzofuran-4-yl-4-phenyl-6-(4-thiahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(23),2(14),3(11),5,7,9,12,15,17,19,21-undecaen-20-yl)-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzofuran-4-yl-4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine
CID 155077964
2-dibenzofuran-4-yl-4-naphtho[1,2-b][1]benzothiol-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 163544939
2-dibenzofuran-4-yl-4-(9-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166952530
2-dibenzofuran-1-yl-4-(9-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine
CID 147864491
2-phenyl-4-[8-(4-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166744157
2-(3-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4,6-diphenyl-1,3,5-triazine
CID 144953430
2-dibenzofuran-4-yl-4-[4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155079038
2,4-diphenyl-6-[9-(4-phenyldibenzothiophen-1-yl)dibenzofuran-4-yl]-1,3,5-triazine
CID 170198434
2-(2-dibenzofuran-4-yl-6-dibenzothiophen-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402570
2-(4-dibenzofuran-4-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazine
CID 130288940
2-dibenzofuran-4-yl-4-dibenzothiophen-4-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 163799019
2-(3-dibenzofuran-4-ylphenyl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171445309

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-phenyl-6-(4-thiahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(23),2(14),3(11),5,7,9,12,15,17,19,21-undecaen-20-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-phenyl-6-(4-thiahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(23),2(14),3(11),5,7,9,12,15,17,19,21-undecaen-20-yl)-1,3,5-triazine (CID 166846437) is 2-dibenzofuran-4-yl-4-phenyl-6-(4-thiahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(23),2(14),3(11),5,7,9,12,15,17,19,21-undecaen-20-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-phenyl-6-(4-thiahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(23),2(14),3(11),5,7,9,12,15,17,19,21-undecaen-20-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-phenyl-6-(4-thiahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(23),2(14),3(11),5,7,9,12,15,17,19,21-undecaen-20-yl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c5c(cccc35)-c3ccc5c(sc6ccccc65)c3-4)nc(-c3cccc4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-phenyl-6-(4-thiahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(23),2(14),3(11),5,7,9,12,15,17,19,21-undecaen-20-yl)-1,3,5-triazine?
The InChIKey is FOTOYQATSNJSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H23N3OS/c1-2-10-24(11-3-1)41-44-42(46-43(45-41)34-17-9-16-30-25-12-4-6-18-35(25)47-39(30)34)32-22-23-33-37-27(14-8-15-28(32)37)29-20-21-31-26-13-5-7-19-36(26)48-40(31)38(29)33/h1-23H.
What are the key properties of 2-dibenzofuran-4-yl-4-phenyl-6-(4-thiahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(23),2(14),3(11),5,7,9,12,15,17,19,21-undecaen-20-yl)-1,3,5-triazine?
2-dibenzofuran-4-yl-4-phenyl-6-(4-thiahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(23),2(14),3(11),5,7,9,12,15,17,19,21-undecaen-20-yl)-1,3,5-triazine has a molecular weight of 629.74 g/mol, XLogP of 11.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-phenyl-6-(4-thiahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(23),2(14),3(11),5,7,9,12,15,17,19,21-undecaen-20-yl)-1,3,5-triazine is sourced from PubChem (CID 166846437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).