2-dibenzofuran-3-yl-4-[7-(2-dibenzofuran-2-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,2-dihydro-1,3,5-triazine

C51H31N3O2S — CID 170192694

IUPAC2-dibenzofuran-3-yl-4-[7-(2-dibenzofuran-2-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc4c(c3)sc3cc(-c5ccccc5-c5ccc6oc7ccccc7c6c5)ccc34)=NC(c3ccc4c(c3)oc3ccccc34)N2)cc1
InChIInChI=1S/C51H31N3O2S/c1-2-10-30(11-3-1)49-52-50(33-19-22-39-37-14-6-8-16-43(37)56-46(39)27-33)54-51(53-49)34-20-24-41-40-23-18-32(28-47(40)57-48(41)29-34)36-13-5-4-12-35(36)31-21-25-45-42(26-31)38-15-7-9-17-44(38)55-45/h1-29,50H,(H,52,53,54)
InChIKeyVCYMZMQDZZBUTN-UHFFFAOYSA-N
MW749.90 g/mol
LogP13.68
Rot. Bonds5

About 2-dibenzofuran-3-yl-4-[7-(2-dibenzofuran-2-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,2-dihydro-1,3,5-triazine

2-dibenzofuran-3-yl-4-[7-(2-dibenzofuran-2-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,2-dihydro-1,3,5-triazine (PubChem CID 170192694) has the molecular formula C51H31N3O2S and a molecular weight of 749.90 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-[7-(2-dibenzofuran-2-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-[7-(2-dibenzofuran-2-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,2-dihydro-1,3,5-triazine
PubChem CID170192694
Molecular FormulaC51H31N3O2S
Molecular Weight749.90 g/mol
Exact Mass749.21
IUPAC Name2-dibenzofuran-3-yl-4-[7-(2-dibenzofuran-2-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc4c(c3)sc3cc(-c5ccccc5-c5ccc6oc7ccccc7c6c5)ccc34)=NC(c3ccc4c(c3)oc3ccccc34)N2)cc1
InChIInChI=1S/C51H31N3O2S/c1-2-10-30(11-3-1)49-52-50(33-19-22-39-37-14-6-8-16-43(37)56-46(39)27-33)54-51(53-49)34-20-24-41-40-23-18-32(28-47(40)57-48(41)29-34)36-13-5-4-12-35(36)31-21-25-45-42(26-31)38-15-7-9-17-44(38)55-45/h1-29,50H,(H,52,53,54)
InChIKeyVCYMZMQDZZBUTN-UHFFFAOYSA-N
XLogP13.68
TPSA63.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.90
LogP ≤ 513.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-dibenzofuran-3-yl-4-[7-(2-dibenzofuran-2-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,2-dihydro-1,3,5-triazine with MolForge

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Related Compounds

4-(8-dibenzothiophen-2-yldibenzofuran-2-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 167185632
4-[6-(2-dibenzofuran-4-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 170192304
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-dibenzofuran-3-yl-4-(2-dibenzothiophen-3-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine
CID 170250208
2,6-diphenyl-4-[3-[3-(8-triphenylen-2-yldibenzofuran-3-yl)phenyl]phenyl]-1,2-dihydro-1,3,5-triazine
CID 146407693
4-dibenzofuran-2-yl-2-phenyl-6-[8-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran-3-yl]-1,2-dihydro-1,3,5-triazine
CID 155002341
6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
CID 166961200
2,6-diphenyl-4-(9-triphenylen-2-yldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazine
CID 166961434
4-[6-dibenzofuran-2-yl-4-(3-phenylphenyl)dibenzothiophen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 156574860
(2R)-2,6-diphenyl-4-[3-[8-(8-phenyldibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine
CID 166744213
2-dibenzofuran-2-yl-6-phenyl-4-[6-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 145447233
4-dibenzothiophen-2-yl-2-phenyl-6-[7-(7-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,2-dihydro-1,3,5-triazine
CID 167029864

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-[7-(2-dibenzofuran-2-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-[7-(2-dibenzofuran-2-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,2-dihydro-1,3,5-triazine (CID 170192694) is 2-dibenzofuran-3-yl-4-[7-(2-dibenzofuran-2-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-[7-(2-dibenzofuran-2-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-[7-(2-dibenzofuran-2-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,2-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3ccc4c(c3)sc3cc(-c5ccccc5-c5ccc6oc7ccccc7c6c5)ccc34)=NC(c3ccc4c(c3)oc3ccccc34)N2)cc1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-[7-(2-dibenzofuran-2-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,2-dihydro-1,3,5-triazine?
The InChIKey is VCYMZMQDZZBUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3O2S/c1-2-10-30(11-3-1)49-52-50(33-19-22-39-37-14-6-8-16-43(37)56-46(39)27-33)54-51(53-49)34-20-24-41-40-23-18-32(28-47(40)57-48(41)29-34)36-13-5-4-12-35(36)31-21-25-45-42(26-31)38-15-7-9-17-44(38)55-45/h1-29,50H,(H,52,53,54).
What are the key properties of 2-dibenzofuran-3-yl-4-[7-(2-dibenzofuran-2-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,2-dihydro-1,3,5-triazine?
2-dibenzofuran-3-yl-4-[7-(2-dibenzofuran-2-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,2-dihydro-1,3,5-triazine has a molecular weight of 749.90 g/mol, XLogP of 13.68, 5 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-[7-(2-dibenzofuran-2-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 170192694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).