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

C46H33N3OS2 — CID 167044746

IUPAC2-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
SMILESCC1C=C(c2ccc3c(c2)sc2cc(C4N=C(c5ccccc5)NC(c5cccc6oc7ccccc7c56)N4)ccc23)c2sc3ccccc3c2C1
InChIInChI=1S/C46H33N3OS2/c1-26-22-35(43-36(23-26)30-12-6-8-17-39(30)52-43)28-18-20-31-32-21-19-29(25-41(32)51-40(31)24-28)45-47-44(27-10-3-2-4-11-27)48-46(49-45)34-14-9-16-38-42(34)33-13-5-7-15-37(33)50-38/h2-22,24-26,45-46,49H,23H2,1H3,(H,47,48)
InChIKeyXIJXCUMVPNJYAF-UHFFFAOYSA-N
MW707.92 g/mol
LogP12.13
Rot. Bonds4

About 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

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 (PubChem CID 167044746) has the molecular formula C46H33N3OS2 and a molecular weight of 707.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID167044746
Molecular FormulaC46H33N3OS2
Molecular Weight707.92 g/mol
Exact Mass707.21
IUPAC Name2-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
SMILESCC1C=C(c2ccc3c(c2)sc2cc(C4N=C(c5ccccc5)NC(c5cccc6oc7ccccc7c56)N4)ccc23)c2sc3ccccc3c2C1
InChIInChI=1S/C46H33N3OS2/c1-26-22-35(43-36(23-26)30-12-6-8-17-39(30)52-43)28-18-20-31-32-21-19-29(25-41(32)51-40(31)24-28)45-47-44(27-10-3-2-4-11-27)48-46(49-45)34-14-9-16-38-42(34)33-13-5-7-15-37(33)50-38/h2-22,24-26,45-46,49H,23H2,1H3,(H,47,48)
InChIKeyXIJXCUMVPNJYAF-UHFFFAOYSA-N
XLogP12.13
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.92
LogP ≤ 512.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1C=C(c2ccc3c(c2)sc2cc(C4N=C(c5ccccc5)NC(c5cccc6oc7ccccc7c56)N4)ccc23)c2sc3ccccc3c2C1.
What is the InChIKey of 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?
The InChIKey is XIJXCUMVPNJYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N3OS2/c1-26-22-35(43-36(23-26)30-12-6-8-17-39(30)52-43)28-18-20-31-32-21-19-29(25-41(32)51-40(31)24-28)45-47-44(27-10-3-2-4-11-27)48-46(49-45)34-14-9-16-38-42(34)33-13-5-7-15-37(33)50-38/h2-22,24-26,45-46,49H,23H2,1H3,(H,47,48).
What are the key properties of 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?
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 has a molecular weight of 707.92 g/mol, XLogP of 12.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167044746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).