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

C49H31N3OS — CID 167029864

IUPAC4-dibenzothiophen-2-yl-2-phenyl-6-[7-(7-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(-c2ccc3c(c2)oc2cccc(-c4ccc5ccc(C6=NC(c7ccc8sc9ccccc9c8c7)=NC(c7ccccc7)N6)cc5c4)c23)cc1
InChIInChI=1S/C49H31N3OS/c1-3-10-30(11-4-1)33-22-24-40-43(29-33)53-42-16-9-15-38(46(40)42)34-20-18-31-19-21-35(27-37(31)26-34)48-50-47(32-12-5-2-6-13-32)51-49(52-48)36-23-25-45-41(28-36)39-14-7-8-17-44(39)54-45/h1-29,47H,(H,50,51,52)
InChIKeyFJJRQTBBEXWWQV-UHFFFAOYSA-N
MW709.87 g/mol
LogP12.94
Rot. Bonds5

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

4-dibenzothiophen-2-yl-2-phenyl-6-[7-(7-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,2-dihydro-1,3,5-triazine (PubChem CID 167029864) has the molecular formula C49H31N3OS and a molecular weight of 709.87 g/mol. Its IUPAC name is 4-dibenzothiophen-2-yl-2-phenyl-6-[7-(7-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-dibenzothiophen-2-yl-2-phenyl-6-[7-(7-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,2-dihydro-1,3,5-triazine
PubChem CID167029864
Molecular FormulaC49H31N3OS
Molecular Weight709.87 g/mol
Exact Mass709.22
IUPAC Name4-dibenzothiophen-2-yl-2-phenyl-6-[7-(7-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(-c2ccc3c(c2)oc2cccc(-c4ccc5ccc(C6=NC(c7ccc8sc9ccccc9c8c7)=NC(c7ccccc7)N6)cc5c4)c23)cc1
InChIInChI=1S/C49H31N3OS/c1-3-10-30(11-4-1)33-22-24-40-43(29-33)53-42-16-9-15-38(46(40)42)34-20-18-31-19-21-35(27-37(31)26-34)48-50-47(32-12-5-2-6-13-32)51-49(52-48)36-23-25-45-41(28-36)39-14-7-8-17-44(39)54-45/h1-29,47H,(H,50,51,52)
InChIKeyFJJRQTBBEXWWQV-UHFFFAOYSA-N
XLogP12.94
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.87
LogP ≤ 512.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-diphenyl-4-(9-triphenylen-2-yldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazine
CID 166961434
4-dibenzothiophen-2-yl-6-(3-dibenzothiophen-1-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167008414
6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-dibenzothiophen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 170364065
(2R)-2,6-diphenyl-4-[3-[8-(8-phenyldibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine
CID 166744213
4-(8-dibenzothiophen-2-yldibenzofuran-2-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 167185632
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-naphthalen-2-yl-6-[3-(8-phenyldibenzofuran-1-yl)phenyl]-1,2-dihydro-1,3,5-triazine
CID 167030113
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
2-dibenzothiophen-1-yl-4-(7-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine
CID 170250309
9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]dibenzothiophen-3-yl]carbazole
CID 166962570
4-dibenzothiophen-3-yl-2-phenyl-6-(3-triphenylen-2-ylphenyl)-1,2-dihydro-1,3,5-triazine
CID 167233632
6-naphthalen-1-yl-4-naphthalen-2-yl-2-[3-[7-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-yl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine
CID 164569389

Frequently Asked Questions

What is the IUPAC name of 4-dibenzothiophen-2-yl-2-phenyl-6-[7-(7-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 4-dibenzothiophen-2-yl-2-phenyl-6-[7-(7-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,2-dihydro-1,3,5-triazine (CID 167029864) is 4-dibenzothiophen-2-yl-2-phenyl-6-[7-(7-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-dibenzothiophen-2-yl-2-phenyl-6-[7-(7-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 4-dibenzothiophen-2-yl-2-phenyl-6-[7-(7-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,2-dihydro-1,3,5-triazine is c1ccc(-c2ccc3c(c2)oc2cccc(-c4ccc5ccc(C6=NC(c7ccc8sc9ccccc9c8c7)=NC(c7ccccc7)N6)cc5c4)c23)cc1.
What is the InChIKey of 4-dibenzothiophen-2-yl-2-phenyl-6-[7-(7-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,2-dihydro-1,3,5-triazine?
The InChIKey is FJJRQTBBEXWWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3OS/c1-3-10-30(11-4-1)33-22-24-40-43(29-33)53-42-16-9-15-38(46(40)42)34-20-18-31-19-21-35(27-37(31)26-34)48-50-47(32-12-5-2-6-13-32)51-49(52-48)36-23-25-45-41(28-36)39-14-7-8-17-44(39)54-45/h1-29,47H,(H,50,51,52).
What are the key properties of 4-dibenzothiophen-2-yl-2-phenyl-6-[7-(7-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,2-dihydro-1,3,5-triazine?
4-dibenzothiophen-2-yl-2-phenyl-6-[7-(7-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,2-dihydro-1,3,5-triazine has a molecular weight of 709.87 g/mol, XLogP of 12.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzothiophen-2-yl-2-phenyl-6-[7-(7-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 167029864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).