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

C49H29N3OS — CID 156574773

IUPAC2-(6-dibenzothiophen-2-yl-4-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(oc5c(-c6ccc7sc8ccccc8c7c6)cccc54)c3-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C49H29N3OS/c1-3-14-31(15-4-1)47-50-48(32-16-5-2-6-17-32)52-49(51-47)40-27-26-39-38-23-12-21-35(33-25-28-43-41(29-33)36-20-9-10-24-42(36)54-43)45(38)53-46(39)44(40)37-22-11-18-30-13-7-8-19-34(30)37/h1-29H
InChIKeyPEWIKYLJYGEBTF-UHFFFAOYSA-N
MW707.86 g/mol
LogP13.63
Rot. Bonds5

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

2-(6-dibenzothiophen-2-yl-4-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 156574773) has the molecular formula C49H29N3OS and a molecular weight of 707.86 g/mol. Its IUPAC name is 2-(6-dibenzothiophen-2-yl-4-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(6-dibenzothiophen-2-yl-4-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID156574773
Molecular FormulaC49H29N3OS
Molecular Weight707.86 g/mol
Exact Mass707.20
IUPAC Name2-(6-dibenzothiophen-2-yl-4-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(oc5c(-c6ccc7sc8ccccc8c7c6)cccc54)c3-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C49H29N3OS/c1-3-14-31(15-4-1)47-50-48(32-16-5-2-6-17-32)52-49(51-47)40-27-26-39-38-23-12-21-35(33-25-28-43-41(29-33)36-20-9-10-24-42(36)54-43)45(38)53-46(39)44(40)37-22-11-18-30-13-7-8-19-34(30)37/h1-29H
InChIKeyPEWIKYLJYGEBTF-UHFFFAOYSA-N
XLogP13.63
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.86
LogP ≤ 513.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 137496709
2-chrysen-1-yl-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 168795993
9-[6-dibenzothiophen-2-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenylcarbazole
CID 168721833
2-(3-dibenzothiophen-2-yl-2,5-diphenylphenyl)-4-naphtho[2,1-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazine
CID 177079205
2-(9-dibenzothiophen-2-yldibenzofuran-1-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 167007911
2-phenyl-4-[8-(4-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166744157
2-(6-dibenzothiophen-2-yl-4-naphthalen-1-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 168721762
2-[8-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 157361381
2-dibenzofuran-2-yl-4-(9-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine
CID 148673756
2-dibenzothiophen-2-yl-4-[2-(7-naphthalen-1-yldibenzofuran-1-yl)phenyl]-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 166743509
2-(5-dibenzothiophen-2-yl-2-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402474
2-dibenzothiophen-3-yl-4-[4-dibenzothiophen-2-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146648181

Frequently Asked Questions

What is the IUPAC name of 2-(6-dibenzothiophen-2-yl-4-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(6-dibenzothiophen-2-yl-4-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine (CID 156574773) is 2-(6-dibenzothiophen-2-yl-4-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(6-dibenzothiophen-2-yl-4-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(6-dibenzothiophen-2-yl-4-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(oc5c(-c6ccc7sc8ccccc8c7c6)cccc54)c3-c3cccc4ccccc34)n2)cc1.
What is the InChIKey of 2-(6-dibenzothiophen-2-yl-4-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is PEWIKYLJYGEBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3OS/c1-3-14-31(15-4-1)47-50-48(32-16-5-2-6-17-32)52-49(51-47)40-27-26-39-38-23-12-21-35(33-25-28-43-41(29-33)36-20-9-10-24-42(36)54-43)45(38)53-46(39)44(40)37-22-11-18-30-13-7-8-19-34(30)37/h1-29H.
What are the key properties of 2-(6-dibenzothiophen-2-yl-4-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine?
2-(6-dibenzothiophen-2-yl-4-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 707.86 g/mol, XLogP of 13.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-dibenzothiophen-2-yl-4-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 156574773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).