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

C45H27N3O2S — CID 163577931

IUPAC4-(6-dibenzofuran-3-yldibenzofuran-4-yl)-2-dibenzothiophen-1-yl-6-phenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cccc4c3oc3c(-c5ccc6c(c5)oc5ccccc56)cccc34)=NC(c3cccc4sc5ccccc5c34)N2)cc1
InChIInChI=1S/C45H27N3O2S/c1-2-11-26(12-3-1)43-46-44(34-18-10-22-39-40(34)33-14-5-7-21-38(33)51-39)48-45(47-43)35-19-9-17-32-31-16-8-15-28(41(31)50-42(32)35)27-23-24-30-29-13-4-6-20-36(29)49-37(30)25-27/h1-25,44H,(H,46,47,48)
InChIKeyGFCVNVIVKFKJBA-UHFFFAOYSA-N
MW673.80 g/mol
LogP12.02
Rot. Bonds4

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

4-(6-dibenzofuran-3-yldibenzofuran-4-yl)-2-dibenzothiophen-1-yl-6-phenyl-1,2-dihydro-1,3,5-triazine (PubChem CID 163577931) has the molecular formula C45H27N3O2S and a molecular weight of 673.80 g/mol. Its IUPAC name is 4-(6-dibenzofuran-3-yldibenzofuran-4-yl)-2-dibenzothiophen-1-yl-6-phenyl-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-(6-dibenzofuran-3-yldibenzofuran-4-yl)-2-dibenzothiophen-1-yl-6-phenyl-1,2-dihydro-1,3,5-triazine
PubChem CID163577931
Molecular FormulaC45H27N3O2S
Molecular Weight673.80 g/mol
Exact Mass673.18
IUPAC Name4-(6-dibenzofuran-3-yldibenzofuran-4-yl)-2-dibenzothiophen-1-yl-6-phenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cccc4c3oc3c(-c5ccc6c(c5)oc5ccccc56)cccc34)=NC(c3cccc4sc5ccccc5c34)N2)cc1
InChIInChI=1S/C45H27N3O2S/c1-2-11-26(12-3-1)43-46-44(34-18-10-22-39-40(34)33-14-5-7-21-38(33)51-39)48-45(47-43)35-19-9-17-32-31-16-8-15-28(41(31)50-42(32)35)27-23-24-30-29-13-4-6-20-36(29)49-37(30)25-27/h1-25,44H,(H,46,47,48)
InChIKeyGFCVNVIVKFKJBA-UHFFFAOYSA-N
XLogP12.02
TPSA63.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.80
LogP ≤ 512.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-dibenzofuran-1-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 148787787
2-dibenzothiophen-1-yl-4-(7-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine
CID 170250309
2-dibenzothiophen-1-yl-6-[7-[8-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]naphthalen-2-yl]-4-phenyl-1,2-dihydro-1,3,5-triazine
CID 167029862
9-[7-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-3-yl]carbazole
CID 163906905
2-[6-dibenzofuran-2-yl-4-(4-phenylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 156575051
2-dibenzofuran-1-yl-4-(9-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170145482
4-dibenzofuran-1-yl-6-(7-dibenzofuran-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 166961083
4-(6-dibenzofuran-3-yl-4-phenyldibenzofuran-1-yl)-2,6-bis(3-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 156575048
4-(6-dibenzofuran-2-yldibenzofuran-1-yl)-2-phenanthren-9-yl-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170248125
6-(8-dibenzofuran-3-yldibenzofuran-4-yl)-2-dibenzothiophen-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 146541783
4-(5-dibenzofuran-4-ylnaphthalen-2-yl)-6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 174321217
2-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 142342927

Frequently Asked Questions

What is the IUPAC name of 4-(6-dibenzofuran-3-yldibenzofuran-4-yl)-2-dibenzothiophen-1-yl-6-phenyl-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 4-(6-dibenzofuran-3-yldibenzofuran-4-yl)-2-dibenzothiophen-1-yl-6-phenyl-1,2-dihydro-1,3,5-triazine (CID 163577931) is 4-(6-dibenzofuran-3-yldibenzofuran-4-yl)-2-dibenzothiophen-1-yl-6-phenyl-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-(6-dibenzofuran-3-yldibenzofuran-4-yl)-2-dibenzothiophen-1-yl-6-phenyl-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 4-(6-dibenzofuran-3-yldibenzofuran-4-yl)-2-dibenzothiophen-1-yl-6-phenyl-1,2-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3cccc4c3oc3c(-c5ccc6c(c5)oc5ccccc56)cccc34)=NC(c3cccc4sc5ccccc5c34)N2)cc1.
What is the InChIKey of 4-(6-dibenzofuran-3-yldibenzofuran-4-yl)-2-dibenzothiophen-1-yl-6-phenyl-1,2-dihydro-1,3,5-triazine?
The InChIKey is GFCVNVIVKFKJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3O2S/c1-2-11-26(12-3-1)43-46-44(34-18-10-22-39-40(34)33-14-5-7-21-38(33)51-39)48-45(47-43)35-19-9-17-32-31-16-8-15-28(41(31)50-42(32)35)27-23-24-30-29-13-4-6-20-36(29)49-37(30)25-27/h1-25,44H,(H,46,47,48).
What are the key properties of 4-(6-dibenzofuran-3-yldibenzofuran-4-yl)-2-dibenzothiophen-1-yl-6-phenyl-1,2-dihydro-1,3,5-triazine?
4-(6-dibenzofuran-3-yldibenzofuran-4-yl)-2-dibenzothiophen-1-yl-6-phenyl-1,2-dihydro-1,3,5-triazine has a molecular weight of 673.80 g/mol, XLogP of 12.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-dibenzofuran-3-yldibenzofuran-4-yl)-2-dibenzothiophen-1-yl-6-phenyl-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 163577931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).