2-dibenzothiophen-1-yl-4-[7-(8,9-dihydrodibenzothiophen-1-yl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine

C49H29N3OS2 — CID 170011861

IUPAC2-dibenzothiophen-1-yl-4-[7-(8,9-dihydrodibenzothiophen-1-yl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine
SMILESC1=Cc2sc3cccc(-c4ccc5c(c4)oc4cccc(-c6nc(-c7ccc8ccccc8c7)nc(-c7cccc8sc9ccccc9c78)n6)c45)c3c2CC1
InChIInChI=1S/C49H29N3OS2/c1-2-11-29-26-31(23-22-28(29)10-1)47-50-48(52-49(51-47)37-16-9-21-43-46(37)35-13-4-6-19-41(35)55-43)36-15-7-17-38-44(36)33-25-24-30(27-39(33)53-38)32-14-8-20-42-45(32)34-12-3-5-18-40(34)54-42/h1-2,4-11,13-27H,3,12H2
InChIKeyBTLCNPWITCBZEM-UHFFFAOYSA-N
MW739.93 g/mol
LogP14.13
Rot. Bonds4

About 2-dibenzothiophen-1-yl-4-[7-(8,9-dihydrodibenzothiophen-1-yl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine

2-dibenzothiophen-1-yl-4-[7-(8,9-dihydrodibenzothiophen-1-yl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine (PubChem CID 170011861) has the molecular formula C49H29N3OS2 and a molecular weight of 739.93 g/mol. Its IUPAC name is 2-dibenzothiophen-1-yl-4-[7-(8,9-dihydrodibenzothiophen-1-yl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-1-yl-4-[7-(8,9-dihydrodibenzothiophen-1-yl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine
PubChem CID170011861
Molecular FormulaC49H29N3OS2
Molecular Weight739.93 g/mol
Exact Mass739.18
IUPAC Name2-dibenzothiophen-1-yl-4-[7-(8,9-dihydrodibenzothiophen-1-yl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine
SMILESC1=Cc2sc3cccc(-c4ccc5c(c4)oc4cccc(-c6nc(-c7ccc8ccccc8c7)nc(-c7cccc8sc9ccccc9c78)n6)c45)c3c2CC1
InChIInChI=1S/C49H29N3OS2/c1-2-11-29-26-31(23-22-28(29)10-1)47-50-48(52-49(51-47)37-16-9-21-43-46(37)35-13-4-6-19-41(35)55-43)36-15-7-17-38-44(36)33-25-24-30(27-39(33)53-38)32-14-8-20-42-45(32)34-12-3-5-18-40(34)54-42/h1-2,4-11,13-27H,3,12H2
InChIKeyBTLCNPWITCBZEM-UHFFFAOYSA-N
XLogP14.13
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.93
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-dibenzothiophen-1-yl-4-[7-(8,9-dihydrodibenzothiophen-1-yl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-(7-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166743486
2-dibenzofuran-4-yl-4-(7-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 166741560
2-dibenzothiophen-1-yl-4-phenyl-6-(9-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine
CID 146407677
2-dibenzothiophen-2-yl-4-(7-dibenzothiophen-3-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 166743055
2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-dibenzothiophen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741718
3-[9-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenylaniline
CID 171597111
2-dibenzothiophen-1-yl-4-(3-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741653
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-2-yl-4-[8-(8,9-dihydrodibenzothiophen-1-yl)dibenzofuran-1-yl]-6-(5,6-dihydronaphthalen-2-yl)-1,3,5-triazine
CID 170423903
2-(4-dibenzothiophen-1-yldibenzofuran-1-yl)-4-(6,7-dihydrodibenzothiophen-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 171399298
2-(8-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine
CID 166742090
2-[1-(6-dibenzofuran-1-yl-2-methyl-1-benzofuran-3-yl)ethenyl]-4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 167008316

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-1-yl-4-[7-(8,9-dihydrodibenzothiophen-1-yl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-1-yl-4-[7-(8,9-dihydrodibenzothiophen-1-yl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine (CID 170011861) is 2-dibenzothiophen-1-yl-4-[7-(8,9-dihydrodibenzothiophen-1-yl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-1-yl-4-[7-(8,9-dihydrodibenzothiophen-1-yl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-1-yl-4-[7-(8,9-dihydrodibenzothiophen-1-yl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine is C1=Cc2sc3cccc(-c4ccc5c(c4)oc4cccc(-c6nc(-c7ccc8ccccc8c7)nc(-c7cccc8sc9ccccc9c78)n6)c45)c3c2CC1.
What is the InChIKey of 2-dibenzothiophen-1-yl-4-[7-(8,9-dihydrodibenzothiophen-1-yl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine?
The InChIKey is BTLCNPWITCBZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3OS2/c1-2-11-29-26-31(23-22-28(29)10-1)47-50-48(52-49(51-47)37-16-9-21-43-46(37)35-13-4-6-19-41(35)55-43)36-15-7-17-38-44(36)33-25-24-30(27-39(33)53-38)32-14-8-20-42-45(32)34-12-3-5-18-40(34)54-42/h1-2,4-11,13-27H,3,12H2.
What are the key properties of 2-dibenzothiophen-1-yl-4-[7-(8,9-dihydrodibenzothiophen-1-yl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine?
2-dibenzothiophen-1-yl-4-[7-(8,9-dihydrodibenzothiophen-1-yl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine has a molecular weight of 739.93 g/mol, XLogP of 14.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-1-yl-4-[7-(8,9-dihydrodibenzothiophen-1-yl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 170011861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).