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

C43H27N3OS — CID 167182670

IUPAC2-(7-dibenzofuran-1-yl-1,2-dihydronaphthalen-2-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
SMILESC1=CC(c2nc(-c3ccccc3)nc(-c3ccc4sc5ccccc5c4c3)n2)Cc2cc(-c3cccc4oc5ccccc5c34)ccc21
InChIInChI=1S/C43H27N3OS/c1-2-9-27(10-3-1)41-44-42(46-43(45-41)30-21-22-39-35(25-30)33-11-5-7-16-38(33)48-39)29-20-18-26-17-19-28(23-31(26)24-29)32-13-8-15-37-40(32)34-12-4-6-14-36(34)47-37/h1-23,25,29H,24H2
InChIKeyYVMDSIGSNNYDGH-UHFFFAOYSA-N
MW633.78 g/mol
LogP11.49
Rot. Bonds4

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

2-(7-dibenzofuran-1-yl-1,2-dihydronaphthalen-2-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine (PubChem CID 167182670) has the molecular formula C43H27N3OS and a molecular weight of 633.78 g/mol. Its IUPAC name is 2-(7-dibenzofuran-1-yl-1,2-dihydronaphthalen-2-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(7-dibenzofuran-1-yl-1,2-dihydronaphthalen-2-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
PubChem CID167182670
Molecular FormulaC43H27N3OS
Molecular Weight633.78 g/mol
Exact Mass633.19
IUPAC Name2-(7-dibenzofuran-1-yl-1,2-dihydronaphthalen-2-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
SMILESC1=CC(c2nc(-c3ccccc3)nc(-c3ccc4sc5ccccc5c4c3)n2)Cc2cc(-c3cccc4oc5ccccc5c34)ccc21
InChIInChI=1S/C43H27N3OS/c1-2-9-27(10-3-1)41-44-42(46-43(45-41)30-21-22-39-35(25-30)33-11-5-7-16-38(33)48-39)29-20-18-26-17-19-28(23-31(26)24-29)32-13-8-15-37-40(32)34-12-4-6-14-36(34)47-37/h1-23,25,29H,24H2
InChIKeyYVMDSIGSNNYDGH-UHFFFAOYSA-N
XLogP11.49
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.78
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-dibenzofuran-1-ylphenyl)-4-(1,2-dihydronaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 167008024
2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-(1,2-dihydronaphthalen-2-yl)-1,3,5-triazine
CID 170123189
2-(3-dibenzofuran-1-ylphenyl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 166743455
2-(3-dibenzofuran-1-yldibenzofuran-1-yl)-4-(1,2-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 170009033
2-(9-dibenzothiophen-2-yldibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952247
2-(1,2-dihydronaphthalen-2-yl)-4-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167007887
2-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-4-(1,2-dihydronaphthalen-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 170013631
2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-(1,2-dihydrodibenzothiophen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 166741701
2-dibenzofuran-1-yl-4-phenyl-6-(9-phenyl-3,4-dihydrophenanthren-3-yl)-1,3,5-triazine
CID 174316211
2-[9-(2-dibenzofuran-1-ylphenyl)-3,4-dihydrodibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170192008
2-(9-dibenzofuran-3-yldibenzofuran-1-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 167007548
2-dibenzothiophen-3-yl-4-[4-(7-dibenzothiophen-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166742671

Frequently Asked Questions

What is the IUPAC name of 2-(7-dibenzofuran-1-yl-1,2-dihydronaphthalen-2-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(7-dibenzofuran-1-yl-1,2-dihydronaphthalen-2-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine (CID 167182670) is 2-(7-dibenzofuran-1-yl-1,2-dihydronaphthalen-2-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(7-dibenzofuran-1-yl-1,2-dihydronaphthalen-2-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(7-dibenzofuran-1-yl-1,2-dihydronaphthalen-2-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine is C1=CC(c2nc(-c3ccccc3)nc(-c3ccc4sc5ccccc5c4c3)n2)Cc2cc(-c3cccc4oc5ccccc5c34)ccc21.
What is the InChIKey of 2-(7-dibenzofuran-1-yl-1,2-dihydronaphthalen-2-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine?
The InChIKey is YVMDSIGSNNYDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3OS/c1-2-9-27(10-3-1)41-44-42(46-43(45-41)30-21-22-39-35(25-30)33-11-5-7-16-38(33)48-39)29-20-18-26-17-19-28(23-31(26)24-29)32-13-8-15-37-40(32)34-12-4-6-14-36(34)47-37/h1-23,25,29H,24H2.
What are the key properties of 2-(7-dibenzofuran-1-yl-1,2-dihydronaphthalen-2-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine?
2-(7-dibenzofuran-1-yl-1,2-dihydronaphthalen-2-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine has a molecular weight of 633.78 g/mol, XLogP of 11.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-dibenzofuran-1-yl-1,2-dihydronaphthalen-2-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 167182670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).