2-dibenzofuran-3-yl-4-(2-dibenzothiophen-3-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine

C49H29N3O2S — CID 170250208

IUPAC2-dibenzofuran-3-yl-4-(2-dibenzothiophen-3-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc2cc(C3=NC(c4c(-c5ccc6c(c5)sc5ccccc56)ccc5oc6ccccc6c45)=NC(c4ccc5c(c4)oc4ccccc45)N3)ccc2c1
InChIInChI=1S/C49H29N3O2S/c1-2-10-29-25-31(18-17-28(29)9-1)47-50-48(32-20-21-35-34-11-3-6-14-39(34)54-42(35)26-32)52-49(51-47)46-33(23-24-41-45(46)38-13-4-7-15-40(38)53-41)30-19-22-37-36-12-5-8-16-43(36)55-44(37)27-30/h1-27,48H,(H,50,51,52)
InChIKeyRZIZUWCNLXYEOX-UHFFFAOYSA-N
MW723.86 g/mol
LogP13.17
Rot. Bonds4

About 2-dibenzofuran-3-yl-4-(2-dibenzothiophen-3-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine

2-dibenzofuran-3-yl-4-(2-dibenzothiophen-3-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine (PubChem CID 170250208) has the molecular formula C49H29N3O2S and a molecular weight of 723.86 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-(2-dibenzothiophen-3-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-(2-dibenzothiophen-3-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine
PubChem CID170250208
Molecular FormulaC49H29N3O2S
Molecular Weight723.86 g/mol
Exact Mass723.20
IUPAC Name2-dibenzofuran-3-yl-4-(2-dibenzothiophen-3-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc2cc(C3=NC(c4c(-c5ccc6c(c5)sc5ccccc56)ccc5oc6ccccc6c45)=NC(c4ccc5c(c4)oc4ccccc45)N3)ccc2c1
InChIInChI=1S/C49H29N3O2S/c1-2-10-29-25-31(18-17-28(29)9-1)47-50-48(32-20-21-35-34-11-3-6-14-39(34)54-42(35)26-32)52-49(51-47)46-33(23-24-41-45(46)38-13-4-7-15-40(38)53-41)30-19-22-37-36-12-5-8-16-43(36)55-44(37)27-30/h1-27,48H,(H,50,51,52)
InChIKeyRZIZUWCNLXYEOX-UHFFFAOYSA-N
XLogP13.17
TPSA63.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.86
LogP ≤ 513.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-dibenzothiophen-2-yl-4-(8-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine
CID 170250337
2-dibenzofuran-3-yl-4-[7-(2-dibenzofuran-2-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170192694
2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-[4-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 170145449
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-[3-(8-phenyldibenzofuran-1-yl)phenyl]-1,2-dihydro-1,3,5-triazine
CID 167030113
2,6-dinaphthalen-2-yl-4-(7-naphtho[2,1-b][1]benzofuran-9-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 170293576
2-dibenzothiophen-1-yl-4-(7-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine
CID 170250309
4-dibenzothiophen-2-yl-2-phenyl-6-[7-(7-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,2-dihydro-1,3,5-triazine
CID 167029864
2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-(6-phenanthren-9-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 170294237
2-dibenzothiophen-3-yl-4-naphthalen-2-yl-6-(2-phenanthren-3-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166742322
6-(2-dibenzofuran-3-yldibenzofuran-1-yl)-4-phenanthren-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167008301
4-naphthalen-2-yl-6-(2-phenanthren-9-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167030408
2-naphthalen-2-yl-4-(7-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170246939

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-(2-dibenzothiophen-3-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-(2-dibenzothiophen-3-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine (CID 170250208) is 2-dibenzofuran-3-yl-4-(2-dibenzothiophen-3-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-(2-dibenzothiophen-3-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-(2-dibenzothiophen-3-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine is c1ccc2cc(C3=NC(c4c(-c5ccc6c(c5)sc5ccccc56)ccc5oc6ccccc6c45)=NC(c4ccc5c(c4)oc4ccccc45)N3)ccc2c1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-(2-dibenzothiophen-3-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine?
The InChIKey is RZIZUWCNLXYEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3O2S/c1-2-10-29-25-31(18-17-28(29)9-1)47-50-48(32-20-21-35-34-11-3-6-14-39(34)54-42(35)26-32)52-49(51-47)46-33(23-24-41-45(46)38-13-4-7-15-40(38)53-41)30-19-22-37-36-12-5-8-16-43(36)55-44(37)27-30/h1-27,48H,(H,50,51,52).
What are the key properties of 2-dibenzofuran-3-yl-4-(2-dibenzothiophen-3-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine?
2-dibenzofuran-3-yl-4-(2-dibenzothiophen-3-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine has a molecular weight of 723.86 g/mol, XLogP of 13.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-4-(2-dibenzothiophen-3-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 170250208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).