2-(6-dibenzothiophen-1-yldibenzofuran-1-yl)-4-(3,4-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine

C49H29N3O2S — CID 170011502

IUPAC2-(6-dibenzothiophen-1-yldibenzofuran-1-yl)-4-(3,4-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
SMILESC1=C(c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4oc5c(-c6cccc7sc8ccccc8c67)cccc5c34)n2)c2c(oc3ccccc23)CC1
InChIInChI=1S/C49H29N3O2S/c1-2-12-29-27-30(26-25-28(29)11-1)47-50-48(36-18-8-21-39-43(36)33-13-3-5-20-38(33)53-39)52-49(51-47)37-19-9-22-40-44(37)35-17-7-16-32(46(35)54-40)31-15-10-24-42-45(31)34-14-4-6-23-41(34)55-42/h1-7,9-20,22-27H,8,21H2
InChIKeyGSAKEKMEBZFAIJ-UHFFFAOYSA-N
MW723.86 g/mol
LogP13.42
Rot. Bonds4

About 2-(6-dibenzothiophen-1-yldibenzofuran-1-yl)-4-(3,4-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine

2-(6-dibenzothiophen-1-yldibenzofuran-1-yl)-4-(3,4-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine (PubChem CID 170011502) has the molecular formula C49H29N3O2S and a molecular weight of 723.86 g/mol. Its IUPAC name is 2-(6-dibenzothiophen-1-yldibenzofuran-1-yl)-4-(3,4-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(6-dibenzothiophen-1-yldibenzofuran-1-yl)-4-(3,4-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
PubChem CID170011502
Molecular FormulaC49H29N3O2S
Molecular Weight723.86 g/mol
Exact Mass723.20
IUPAC Name2-(6-dibenzothiophen-1-yldibenzofuran-1-yl)-4-(3,4-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
SMILESC1=C(c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4oc5c(-c6cccc7sc8ccccc8c67)cccc5c34)n2)c2c(oc3ccccc23)CC1
InChIInChI=1S/C49H29N3O2S/c1-2-12-29-27-30(26-25-28(29)11-1)47-50-48(36-18-8-21-39-43(36)33-13-3-5-20-38(33)53-39)52-49(51-47)37-19-9-22-40-44(37)35-17-7-16-32(46(35)54-40)31-15-10-24-42-45(31)34-14-4-6-23-41(34)55-42/h1-7,9-20,22-27H,8,21H2
InChIKeyGSAKEKMEBZFAIJ-UHFFFAOYSA-N
XLogP13.42
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.86
LogP ≤ 513.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-dibenzofuran-1-yl-4-(6-naphthalen-2-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170221616
2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-(4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaen-9-yl)-1,3,5-triazine
CID 166846399
2-(3,4-dihydrodibenzofuran-1-yl)-4-(4-phenylphenyl)-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 167007462
2-(4-dibenzothiophen-1-yldibenzofuran-1-yl)-4-(6,7-dihydrodibenzothiophen-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 171399298
2-(3,4-dihydrodibenzofuran-1-yl)-4-[4-(8-naphthalen-2-yldibenzofuran-1-yl)-2,3-dihydronaphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 167007605
2-dibenzothiophen-2-yl-4-(6-dibenzothiophen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166742461
2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-1-ylnaphthalen-1-yl)-1,3,5-triazine
CID 163479356
2-dibenzofuran-4-yl-4-(7-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 166741560
2-[5-(4-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-4-dibenzothiophen-2-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 166743502
2-dibenzofuran-4-yl-4-dibenzothiophen-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 163883122
2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-(7-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166743486
2-(6-naphtho[2,3-b][1]benzothiol-1-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 166741574

Frequently Asked Questions

What is the IUPAC name of 2-(6-dibenzothiophen-1-yldibenzofuran-1-yl)-4-(3,4-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-(6-dibenzothiophen-1-yldibenzofuran-1-yl)-4-(3,4-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine (CID 170011502) is 2-(6-dibenzothiophen-1-yldibenzofuran-1-yl)-4-(3,4-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-(6-dibenzothiophen-1-yldibenzofuran-1-yl)-4-(3,4-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-(6-dibenzothiophen-1-yldibenzofuran-1-yl)-4-(3,4-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine is C1=C(c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4oc5c(-c6cccc7sc8ccccc8c67)cccc5c34)n2)c2c(oc3ccccc23)CC1.
What is the InChIKey of 2-(6-dibenzothiophen-1-yldibenzofuran-1-yl)-4-(3,4-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine?
The InChIKey is GSAKEKMEBZFAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3O2S/c1-2-12-29-27-30(26-25-28(29)11-1)47-50-48(36-18-8-21-39-43(36)33-13-3-5-20-38(33)53-39)52-49(51-47)37-19-9-22-40-44(37)35-17-7-16-32(46(35)54-40)31-15-10-24-42-45(31)34-14-4-6-23-41(34)55-42/h1-7,9-20,22-27H,8,21H2.
What are the key properties of 2-(6-dibenzothiophen-1-yldibenzofuran-1-yl)-4-(3,4-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine?
2-(6-dibenzothiophen-1-yldibenzofuran-1-yl)-4-(3,4-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine has a molecular weight of 723.86 g/mol, XLogP of 13.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-dibenzothiophen-1-yldibenzofuran-1-yl)-4-(3,4-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 170011502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).