6-(8-dibenzofuran-3-yldibenzofuran-4-yl)-2-dibenzothiophen-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine

C45H29N3O2S — CID 146541783

IUPAC6-(8-dibenzofuran-3-yldibenzofuran-4-yl)-2-dibenzothiophen-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESc1ccc(C2N=C(c3cccc4c3oc3ccc(-c5ccc6c(c5)oc5ccccc56)cc34)NC(c3cccc4sc5ccccc5c34)N2)cc1
InChIInChI=1S/C45H29N3O2S/c1-2-10-26(11-3-1)43-46-44(33-15-9-19-40-41(33)32-13-5-7-18-39(32)51-40)48-45(47-43)34-16-8-14-31-35-24-27(21-23-37(35)50-42(31)34)28-20-22-30-29-12-4-6-17-36(29)49-38(30)25-28/h1-25,43-44,46H,(H,47,48)
InChIKeyOYQJEKDDUPKYQW-UHFFFAOYSA-N
MW675.81 g/mol
LogP11.86
Rot. Bonds4

About 6-(8-dibenzofuran-3-yldibenzofuran-4-yl)-2-dibenzothiophen-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine

6-(8-dibenzofuran-3-yldibenzofuran-4-yl)-2-dibenzothiophen-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 146541783) has the molecular formula C45H29N3O2S and a molecular weight of 675.81 g/mol. Its IUPAC name is 6-(8-dibenzofuran-3-yldibenzofuran-4-yl)-2-dibenzothiophen-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

Compound Name6-(8-dibenzofuran-3-yldibenzofuran-4-yl)-2-dibenzothiophen-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
PubChem CID146541783
Molecular FormulaC45H29N3O2S
Molecular Weight675.81 g/mol
Exact Mass675.20
IUPAC Name6-(8-dibenzofuran-3-yldibenzofuran-4-yl)-2-dibenzothiophen-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESc1ccc(C2N=C(c3cccc4c3oc3ccc(-c5ccc6c(c5)oc5ccccc56)cc34)NC(c3cccc4sc5ccccc5c34)N2)cc1
InChIInChI=1S/C45H29N3O2S/c1-2-10-26(11-3-1)43-46-44(33-15-9-19-40-41(33)32-13-5-7-18-39(32)51-40)48-45(47-43)34-16-8-14-31-35-24-27(21-23-37(35)50-42(31)34)28-20-22-30-29-12-4-6-17-36(29)49-38(30)25-28/h1-25,43-44,46H,(H,47,48)
InChIKeyOYQJEKDDUPKYQW-UHFFFAOYSA-N
XLogP11.86
TPSA62.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.81
LogP ≤ 511.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(8-dibenzofuran-3-yldibenzofuran-4-yl)-2-dibenzothiophen-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine with MolForge

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Related Compounds

2-(8-dibenzofuran-3-yldibenzofuran-4-yl)-6-dibenzothiophen-3-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167044791
2-dibenzofuran-4-yl-6-(7-dibenzothiophen-4-yldibenzofuran-2-yl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 146541771
2-dibenzofuran-4-yl-6-(7-dibenzofuran-4-yldibenzothiophen-2-yl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 149480097
6-dibenzofuran-4-yl-2-phenyl-4-[4-[1-(4-triphenylen-2-ylphenyl)dibenzofuran-2-yl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163856482
4-dibenzofuran-3-yl-6-(8-dibenzothiophen-4-yldibenzofuran-2-yl)-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163881109
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-(6-dibenzofuran-4-yldibenzothiophen-3-yl)-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 146544048
4,6-diphenyl-2-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029875
9-[8-[6-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]carbazole
CID 166961997
2-(8-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazinane
CID 146542433
2-(8-dibenzothiophen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazinane
CID 171597389
2-(8-dibenzofuran-3-ylnaphtho[1,2-b][1]benzofuran-6-yl)-4,6-bis(3-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163631665

Frequently Asked Questions

What is the IUPAC name of 6-(8-dibenzofuran-3-yldibenzofuran-4-yl)-2-dibenzothiophen-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The IUPAC name of 6-(8-dibenzofuran-3-yldibenzofuran-4-yl)-2-dibenzothiophen-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine (CID 146541783) is 6-(8-dibenzofuran-3-yldibenzofuran-4-yl)-2-dibenzothiophen-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine.
What is the SMILES notation for 6-(8-dibenzofuran-3-yldibenzofuran-4-yl)-2-dibenzothiophen-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The canonical SMILES for 6-(8-dibenzofuran-3-yldibenzofuran-4-yl)-2-dibenzothiophen-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine is c1ccc(C2N=C(c3cccc4c3oc3ccc(-c5ccc6c(c5)oc5ccccc56)cc34)NC(c3cccc4sc5ccccc5c34)N2)cc1.
What is the InChIKey of 6-(8-dibenzofuran-3-yldibenzofuran-4-yl)-2-dibenzothiophen-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The InChIKey is OYQJEKDDUPKYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3O2S/c1-2-10-26(11-3-1)43-46-44(33-15-9-19-40-41(33)32-13-5-7-18-39(32)51-40)48-45(47-43)34-16-8-14-31-35-24-27(21-23-37(35)50-42(31)34)28-20-22-30-29-12-4-6-17-36(29)49-38(30)25-28/h1-25,43-44,46H,(H,47,48).
What are the key properties of 6-(8-dibenzofuran-3-yldibenzofuran-4-yl)-2-dibenzothiophen-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
6-(8-dibenzofuran-3-yldibenzofuran-4-yl)-2-dibenzothiophen-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 675.81 g/mol, XLogP of 11.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-dibenzofuran-3-yldibenzofuran-4-yl)-2-dibenzothiophen-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 146541783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).