2-dibenzothiophen-2-yl-4-(8-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine

C49H29N3OS2 — CID 170250337

IUPAC2-dibenzothiophen-2-yl-4-(8-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc2cc(C3=NC(c4cccc5oc6ccc(-c7cccc8sc9ccccc9c78)cc6c45)=NC(c4ccc5sc6ccccc6c5c4)N3)ccc2c1
InChIInChI=1S/C49H29N3OS2/c1-2-10-29-25-31(20-19-28(29)9-1)47-50-48(32-22-24-43-37(27-32)34-11-3-5-16-41(34)54-43)52-49(51-47)36-14-7-15-40-45(36)38-26-30(21-23-39(38)53-40)33-13-8-18-44-46(33)35-12-4-6-17-42(35)55-44/h1-27,48H,(H,50,51,52)
InChIKeyOULTXQPNKKBIAL-UHFFFAOYSA-N
MW739.93 g/mol
LogP13.64
Rot. Bonds4

About 2-dibenzothiophen-2-yl-4-(8-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine

2-dibenzothiophen-2-yl-4-(8-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine (PubChem CID 170250337) has the molecular formula C49H29N3OS2 and a molecular weight of 739.93 g/mol. Its IUPAC name is 2-dibenzothiophen-2-yl-4-(8-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-2-yl-4-(8-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine
PubChem CID170250337
Molecular FormulaC49H29N3OS2
Molecular Weight739.93 g/mol
Exact Mass739.18
IUPAC Name2-dibenzothiophen-2-yl-4-(8-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc2cc(C3=NC(c4cccc5oc6ccc(-c7cccc8sc9ccccc9c78)cc6c45)=NC(c4ccc5sc6ccccc6c5c4)N3)ccc2c1
InChIInChI=1S/C49H29N3OS2/c1-2-10-29-25-31(20-19-28(29)9-1)47-50-48(32-22-24-43-37(27-32)34-11-3-5-16-41(34)54-43)52-49(51-47)36-14-7-15-40-45(36)38-26-30(21-23-39(38)53-40)33-13-8-18-44-46(33)35-12-4-6-17-42(35)55-44/h1-27,48H,(H,50,51,52)
InChIKeyOULTXQPNKKBIAL-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-2-yl-4-(8-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-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-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
4-dibenzothiophen-2-yl-6-(3-dibenzothiophen-1-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167008414
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-(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-phenanthren-9-yl-6-(8-phenyldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 167029547
6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-dibenzothiophen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 170364065
9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]dibenzothiophen-3-yl]carbazole
CID 166962570
6-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 137285203

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-2-yl-4-(8-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-2-yl-4-(8-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine (CID 170250337) is 2-dibenzothiophen-2-yl-4-(8-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-2-yl-4-(8-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-2-yl-4-(8-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine is c1ccc2cc(C3=NC(c4cccc5oc6ccc(-c7cccc8sc9ccccc9c78)cc6c45)=NC(c4ccc5sc6ccccc6c5c4)N3)ccc2c1.
What is the InChIKey of 2-dibenzothiophen-2-yl-4-(8-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine?
The InChIKey is OULTXQPNKKBIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3OS2/c1-2-10-29-25-31(20-19-28(29)9-1)47-50-48(32-22-24-43-37(27-32)34-11-3-5-16-41(34)54-43)52-49(51-47)36-14-7-15-40-45(36)38-26-30(21-23-39(38)53-40)33-13-8-18-44-46(33)35-12-4-6-17-42(35)55-44/h1-27,48H,(H,50,51,52).
What are the key properties of 2-dibenzothiophen-2-yl-4-(8-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine?
2-dibenzothiophen-2-yl-4-(8-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-2-yl-4-(8-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 170250337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).