4-dibenzothiophen-3-yl-2-[4-(7-dibenzothiophen-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine

C51H33N3OS2 — CID 167029334

IUPAC4-dibenzothiophen-3-yl-2-[4-(7-dibenzothiophen-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc4c(c3)sc3ccccc34)NC(c3ccc(-c4cccc5oc6cc(-c7ccc8sc9ccccc9c8c7)ccc6c45)cc3)N2)cc1
InChIInChI=1S/C51H33N3OS2/c1-2-9-31(10-3-1)49-52-50(54-51(53-49)35-22-24-39-37-11-4-6-15-44(37)57-47(39)29-35)32-19-17-30(18-20-32)36-13-8-14-42-48(36)40-25-21-34(28-43(40)55-42)33-23-26-46-41(27-33)38-12-5-7-16-45(38)56-46/h1-29,50-51,54H,(H,52,53)
InChIKeyVTEKLFGQDGQZIX-UHFFFAOYSA-N
MW767.98 g/mol
LogP13.99
Rot. Bonds5

About 4-dibenzothiophen-3-yl-2-[4-(7-dibenzothiophen-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine

4-dibenzothiophen-3-yl-2-[4-(7-dibenzothiophen-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 167029334) has the molecular formula C51H33N3OS2 and a molecular weight of 767.98 g/mol. Its IUPAC name is 4-dibenzothiophen-3-yl-2-[4-(7-dibenzothiophen-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

Compound Name4-dibenzothiophen-3-yl-2-[4-(7-dibenzothiophen-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
PubChem CID167029334
Molecular FormulaC51H33N3OS2
Molecular Weight767.98 g/mol
Exact Mass767.21
IUPAC Name4-dibenzothiophen-3-yl-2-[4-(7-dibenzothiophen-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc4c(c3)sc3ccccc34)NC(c3ccc(-c4cccc5oc6cc(-c7ccc8sc9ccccc9c8c7)ccc6c45)cc3)N2)cc1
InChIInChI=1S/C51H33N3OS2/c1-2-9-31(10-3-1)49-52-50(54-51(53-49)35-22-24-39-37-11-4-6-15-44(37)57-47(39)29-35)32-19-17-30(18-20-32)36-13-8-14-42-48(36)40-25-21-34(28-43(40)55-42)33-23-26-46-41(27-33)38-12-5-7-16-45(38)56-46/h1-29,50-51,54H,(H,52,53)
InChIKeyVTEKLFGQDGQZIX-UHFFFAOYSA-N
XLogP13.99
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.98
LogP ≤ 513.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-dibenzofuran-3-yl-6-(8-dibenzothiophen-4-yldibenzofuran-2-yl)-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163881109
2-dibenzothiophen-3-yl-4-[4-(7-dibenzothiophen-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166742671
9-[7-[7-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]dibenzothiophen-2-yl]carbazole
CID 166962552
4-[3-(8-naphthalen-1-yldibenzofuran-1-yl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 134198760
3-[4-[8-(8-carbazol-9-yldibenzofuran-3-yl)dibenzothiophen-3-yl]-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]benzonitrile
CID 166962442
2-dibenzofuran-1-yl-4-(6-dibenzofuran-4-yldibenzothiophen-3-yl)-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 146544048
2-(8-dibenzofuran-3-yldibenzofuran-4-yl)-6-dibenzothiophen-3-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167044791
4-dibenzothiophen-2-yl-2-phenyl-6-[7-(7-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,2-dihydro-1,3,5-triazine
CID 167029864
4,6-diphenyl-2-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029875
2-dibenzofuran-1-yl-4-[7-(2-methyl-1,2-dihydrodibenzothiophen-4-yl)dibenzothiophen-3-yl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167044746
2-[4-(6-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163865537
2-dibenzofuran-4-yl-6-(7-dibenzofuran-4-yldibenzothiophen-2-yl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 149480097

Frequently Asked Questions

What is the IUPAC name of 4-dibenzothiophen-3-yl-2-[4-(7-dibenzothiophen-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The IUPAC name of 4-dibenzothiophen-3-yl-2-[4-(7-dibenzothiophen-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine (CID 167029334) is 4-dibenzothiophen-3-yl-2-[4-(7-dibenzothiophen-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine.
What is the SMILES notation for 4-dibenzothiophen-3-yl-2-[4-(7-dibenzothiophen-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The canonical SMILES for 4-dibenzothiophen-3-yl-2-[4-(7-dibenzothiophen-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine is c1ccc(C2=NC(c3ccc4c(c3)sc3ccccc34)NC(c3ccc(-c4cccc5oc6cc(-c7ccc8sc9ccccc9c8c7)ccc6c45)cc3)N2)cc1.
What is the InChIKey of 4-dibenzothiophen-3-yl-2-[4-(7-dibenzothiophen-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The InChIKey is VTEKLFGQDGQZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3OS2/c1-2-9-31(10-3-1)49-52-50(54-51(53-49)35-22-24-39-37-11-4-6-15-44(37)57-47(39)29-35)32-19-17-30(18-20-32)36-13-8-14-42-48(36)40-25-21-34(28-43(40)55-42)33-23-26-46-41(27-33)38-12-5-7-16-45(38)56-46/h1-29,50-51,54H,(H,52,53).
What are the key properties of 4-dibenzothiophen-3-yl-2-[4-(7-dibenzothiophen-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
4-dibenzothiophen-3-yl-2-[4-(7-dibenzothiophen-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 767.98 g/mol, XLogP of 13.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzothiophen-3-yl-2-[4-(7-dibenzothiophen-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 167029334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).