2-dibenzothiophen-1-yl-4-(7-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine

C49H29N3OS2 — CID 170250309

IUPAC2-dibenzothiophen-1-yl-4-(7-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc2cc(C3=NC(c4cccc5oc6cc(-c7cccc8sc9ccccc9c78)ccc6c45)=NC(c4cccc5sc6ccccc6c45)N3)ccc2c1
InChIInChI=1S/C49H29N3OS2/c1-2-11-29-26-31(23-22-28(29)10-1)47-50-48(52-49(51-47)37-16-9-21-43-46(37)35-13-4-6-19-41(35)55-43)36-15-7-17-38-44(36)33-25-24-30(27-39(33)53-38)32-14-8-20-42-45(32)34-12-3-5-18-40(34)54-42/h1-27,49H,(H,50,51,52)
InChIKeyQXJUAPCWKLXUIC-UHFFFAOYSA-N
MW739.93 g/mol
LogP13.64
Rot. Bonds4

About 2-dibenzothiophen-1-yl-4-(7-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine

2-dibenzothiophen-1-yl-4-(7-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine (PubChem CID 170250309) has the molecular formula C49H29N3OS2 and a molecular weight of 739.93 g/mol. Its IUPAC name is 2-dibenzothiophen-1-yl-4-(7-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-1-yl-4-(7-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine
PubChem CID170250309
Molecular FormulaC49H29N3OS2
Molecular Weight739.93 g/mol
Exact Mass739.18
IUPAC Name2-dibenzothiophen-1-yl-4-(7-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc2cc(C3=NC(c4cccc5oc6cc(-c7cccc8sc9ccccc9c78)ccc6c45)=NC(c4cccc5sc6ccccc6c45)N3)ccc2c1
InChIInChI=1S/C49H29N3OS2/c1-2-11-29-26-31(23-22-28(29)10-1)47-50-48(52-49(51-47)37-16-9-21-43-46(37)35-13-4-6-19-41(35)55-43)36-15-7-17-38-44(36)33-25-24-30(27-39(33)53-38)32-14-8-20-42-45(32)34-12-3-5-18-40(34)54-42/h1-27,49H,(H,50,51,52)
InChIKeyQXJUAPCWKLXUIC-UHFFFAOYSA-N
XLogP13.64
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.93
LogP ≤ 513.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-dibenzothiophen-1-yl-4-(7-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine with MolForge

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Related Compounds

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-2-yl-4-(8-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine
CID 170250337
4-(6-dibenzofuran-3-yldibenzofuran-4-yl)-2-dibenzothiophen-1-yl-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 163577931
2-dibenzofuran-1-yl-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine
CID 170250101
2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-2-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 170249633
4-dibenzothiophen-2-yl-2-phenyl-6-[7-(7-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,2-dihydro-1,3,5-triazine
CID 167029864
2,6-dinaphthalen-2-yl-4-(7-naphtho[2,1-b][1]benzofuran-9-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 170293576
4-naphthalen-2-yl-6-phenanthren-2-yl-2-[4-(7-phenanthren-9-yldibenzofuran-1-yl)naphthalen-1-yl]-1,2-dihydro-1,3,5-triazine
CID 167029446
4-(7-naphtho[2,1-b][1]benzothiol-6-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 167029732
2-naphthalen-2-yl-4-(7-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170246939
2-dibenzofuran-1-yl-4-(3-naphthalen-1-yldibenzofuran-1-yl)-6-phenanthren-2-yl-1,2-dihydro-1,3,5-triazine
CID 170294238
2-dibenzofuran-3-yl-4-(2-dibenzothiophen-3-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine
CID 170250208

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-1-yl-4-(7-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-1-yl-4-(7-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine (CID 170250309) is 2-dibenzothiophen-1-yl-4-(7-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-1-yl-4-(7-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-1-yl-4-(7-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine is c1ccc2cc(C3=NC(c4cccc5oc6cc(-c7cccc8sc9ccccc9c78)ccc6c45)=NC(c4cccc5sc6ccccc6c45)N3)ccc2c1.
What is the InChIKey of 2-dibenzothiophen-1-yl-4-(7-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine?
The InChIKey is QXJUAPCWKLXUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3OS2/c1-2-11-29-26-31(23-22-28(29)10-1)47-50-48(52-49(51-47)37-16-9-21-43-46(37)35-13-4-6-19-41(35)55-43)36-15-7-17-38-44(36)33-25-24-30(27-39(33)53-38)32-14-8-20-42-45(32)34-12-3-5-18-40(34)54-42/h1-27,49H,(H,50,51,52).
What are the key properties of 2-dibenzothiophen-1-yl-4-(7-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine?
2-dibenzothiophen-1-yl-4-(7-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine has a molecular weight of 739.93 g/mol, XLogP of 13.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-1-yl-4-(7-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 170250309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).