2-dibenzofuran-3-yl-4-(7-dibenzothiophen-1-yl-3-methyl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine

C46H29N3O2S — CID 170232402

IUPAC2-dibenzofuran-3-yl-4-(7-dibenzothiophen-1-yl-3-methyl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
SMILESCC1C=C(c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)c2c(oc3cc(-c4cccc5sc6ccccc6c45)ccc23)C1
InChIInChI=1S/C46H29N3O2S/c1-26-22-35(42-33-21-18-28(24-38(33)51-39(42)23-26)30-14-9-17-41-43(30)34-13-6-8-16-40(34)52-41)46-48-44(27-10-3-2-4-11-27)47-45(49-46)29-19-20-32-31-12-5-7-15-36(31)50-37(32)25-29/h2-22,24-26H,23H2,1H3
InChIKeyHVCRHSJVIHPUTP-UHFFFAOYSA-N
MW687.82 g/mol
LogP12.51
Rot. Bonds4

About 2-dibenzofuran-3-yl-4-(7-dibenzothiophen-1-yl-3-methyl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine

2-dibenzofuran-3-yl-4-(7-dibenzothiophen-1-yl-3-methyl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine (PubChem CID 170232402) has the molecular formula C46H29N3O2S and a molecular weight of 687.82 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-(7-dibenzothiophen-1-yl-3-methyl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-(7-dibenzothiophen-1-yl-3-methyl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
PubChem CID170232402
Molecular FormulaC46H29N3O2S
Molecular Weight687.82 g/mol
Exact Mass687.20
IUPAC Name2-dibenzofuran-3-yl-4-(7-dibenzothiophen-1-yl-3-methyl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
SMILESCC1C=C(c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)c2c(oc3cc(-c4cccc5sc6ccccc6c45)ccc23)C1
InChIInChI=1S/C46H29N3O2S/c1-26-22-35(42-33-21-18-28(24-38(33)51-39(42)23-26)30-14-9-17-41-43(30)34-13-6-8-16-40(34)52-41)46-48-44(27-10-3-2-4-11-27)47-45(49-46)29-19-20-32-31-12-5-7-15-36(31)50-37(32)25-29/h2-22,24-26H,23H2,1H3
InChIKeyHVCRHSJVIHPUTP-UHFFFAOYSA-N
XLogP12.51
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.82
LogP ≤ 512.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-dibenzofuran-3-yl-5-dibenzothiophen-1-ylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 163547459
2-(9-dibenzofuran-3-yldibenzofuran-1-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 167007548
2-dibenzothiophen-1-yl-4-phenyl-6-(9-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine
CID 146407677
2-(8-dibenzofuran-3-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 169059388
2-dibenzofuran-3-yl-4-phenyl-6-[7-(3-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 171414981
2-[3-methyl-9-(4-phenylphenyl)-3,4-dihydrodibenzofuran-1-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 170423054
2-(8-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine
CID 166742090
2-dibenzofuran-2-yl-4-(3-dibenzothiophen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170363880
2-dibenzothiophen-1-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 134198711
2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-dibenzothiophen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741718
2-dibenzothiophen-1-yl-4-phenyl-6-[3-[8-(2-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine
CID 134198900
2-dibenzofuran-3-yl-4-[9-(2-dibenzothiophen-3-ylphenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 170192548

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-(7-dibenzothiophen-1-yl-3-methyl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-(7-dibenzothiophen-1-yl-3-methyl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine (CID 170232402) is 2-dibenzofuran-3-yl-4-(7-dibenzothiophen-1-yl-3-methyl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-(7-dibenzothiophen-1-yl-3-methyl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-(7-dibenzothiophen-1-yl-3-methyl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine is CC1C=C(c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)c2c(oc3cc(-c4cccc5sc6ccccc6c45)ccc23)C1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-(7-dibenzothiophen-1-yl-3-methyl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is HVCRHSJVIHPUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3O2S/c1-26-22-35(42-33-21-18-28(24-38(33)51-39(42)23-26)30-14-9-17-41-43(30)34-13-6-8-16-40(34)52-41)46-48-44(27-10-3-2-4-11-27)47-45(49-46)29-19-20-32-31-12-5-7-15-36(31)50-37(32)25-29/h2-22,24-26H,23H2,1H3.
What are the key properties of 2-dibenzofuran-3-yl-4-(7-dibenzothiophen-1-yl-3-methyl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
2-dibenzofuran-3-yl-4-(7-dibenzothiophen-1-yl-3-methyl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 687.82 g/mol, XLogP of 12.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-4-(7-dibenzothiophen-1-yl-3-methyl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 170232402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).