2-dibenzofuran-1-yl-4-(3,4-dihydrodibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine

C33H21N3OS — CID 167182649

IUPAC2-dibenzofuran-1-yl-4-(3,4-dihydrodibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine
SMILESC1=C(c2nc(-c3ccccc3)nc(-c3cccc4oc5ccccc5c34)n2)c2c(sc3ccccc23)CC1
InChIInChI=1S/C33H21N3OS/c1-2-10-20(11-3-1)31-34-32(23-14-8-17-26-29(23)21-12-4-6-16-25(21)37-26)36-33(35-31)24-15-9-19-28-30(24)22-13-5-7-18-27(22)38-28/h1-8,10-18H,9,19H2
InChIKeyLJDFVBHHFKYQCI-UHFFFAOYSA-N
MW507.62 g/mol
LogP8.70
Rot. Bonds3

About 2-dibenzofuran-1-yl-4-(3,4-dihydrodibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine

2-dibenzofuran-1-yl-4-(3,4-dihydrodibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine (PubChem CID 167182649) has the molecular formula C33H21N3OS and a molecular weight of 507.62 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-(3,4-dihydrodibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-(3,4-dihydrodibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine
PubChem CID167182649
Molecular FormulaC33H21N3OS
Molecular Weight507.62 g/mol
Exact Mass507.14
IUPAC Name2-dibenzofuran-1-yl-4-(3,4-dihydrodibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine
SMILESC1=C(c2nc(-c3ccccc3)nc(-c3cccc4oc5ccccc5c34)n2)c2c(sc3ccccc23)CC1
InChIInChI=1S/C33H21N3OS/c1-2-10-20(11-3-1)31-34-32(23-14-8-17-26-29(23)21-12-4-6-16-25(21)37-26)36-33(35-31)24-15-9-19-28-30(24)22-13-5-7-18-27(22)38-28/h1-8,10-18H,9,19H2
InChIKeyLJDFVBHHFKYQCI-UHFFFAOYSA-N
XLogP8.70
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.62
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-dibenzofuran-1-yl-4-(3,4-dihydrodibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-(9-dibenzothiophen-1-yldibenzofuran-1-yl)-4-(7-methyl-3,4,6,7-tetrahydrodibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170145492
2-(3,4-dihydrodibenzofuran-1-yl)-4-(4-phenylphenyl)-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 167007462
2-(8-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine
CID 166742090
2-dibenzofuran-1-yl-4-phenyl-6-[8-[2-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 140946542
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
2-dibenzofuran-1-yl-4-(6-naphthalen-2-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170221616
2-dibenzofuran-1-yl-4-phenyl-6-[5-(8-phenyldibenzothiophen-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 168731840
2-dibenzofuran-1-yl-4-naphtho[3,2-b][1]benzothiol-11-yl-6-phenyl-1,3,5-triazine
CID 162712674
2-(6-dibenzothiophen-1-yldibenzofuran-1-yl)-4-(3,4-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 170011502
2-(2-dibenzofuran-1-ylphenyl)-4-phenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134199430
2-(3-dibenzofuran-1-ylphenyl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 166743455
2-dibenzofuran-1-yl-4-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 155328643

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-(3,4-dihydrodibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-(3,4-dihydrodibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine (CID 167182649) is 2-dibenzofuran-1-yl-4-(3,4-dihydrodibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-(3,4-dihydrodibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-(3,4-dihydrodibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine is C1=C(c2nc(-c3ccccc3)nc(-c3cccc4oc5ccccc5c34)n2)c2c(sc3ccccc23)CC1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-(3,4-dihydrodibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is LJDFVBHHFKYQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N3OS/c1-2-10-20(11-3-1)31-34-32(23-14-8-17-26-29(23)21-12-4-6-16-25(21)37-26)36-33(35-31)24-15-9-19-28-30(24)22-13-5-7-18-27(22)38-28/h1-8,10-18H,9,19H2.
What are the key properties of 2-dibenzofuran-1-yl-4-(3,4-dihydrodibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine?
2-dibenzofuran-1-yl-4-(3,4-dihydrodibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 507.62 g/mol, XLogP of 8.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-(3,4-dihydrodibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 167182649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).