2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzothiophene 5,5-dioxide

C35H21N3O2S — CID 163540814

IUPAC2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzothiophene 5,5-dioxide
SMILESO=S1(=O)c2ccccc2-c2cc(-c3nc(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)n3)ccc21
InChIInChI=1S/C35H21N3O2S/c39-41(40)31-18-6-5-15-27(31)30-21-24(19-20-32(30)41)33-36-34(28-16-7-11-22-9-1-3-13-25(22)28)38-35(37-33)29-17-8-12-23-10-2-4-14-26(23)29/h1-21H
InChIKeyFAYAETQKBREFQM-UHFFFAOYSA-N
MW547.64 g/mol
LogP7.99
Rot. Bonds3

About 2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzothiophene 5,5-dioxide

2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzothiophene 5,5-dioxide (PubChem CID 163540814) has the molecular formula C35H21N3O2S and a molecular weight of 547.64 g/mol. Its IUPAC name is 2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzothiophene 5,5-dioxide.

Molecular Properties

Compound Name2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzothiophene 5,5-dioxide
PubChem CID163540814
Molecular FormulaC35H21N3O2S
Molecular Weight547.64 g/mol
Exact Mass547.14
IUPAC Name2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzothiophene 5,5-dioxide
SMILESO=S1(=O)c2ccccc2-c2cc(-c3nc(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)n3)ccc21
InChIInChI=1S/C35H21N3O2S/c39-41(40)31-18-6-5-15-27(31)30-21-24(19-20-32(30)41)33-36-34(28-16-7-11-22-9-1-3-13-25(22)28)38-35(37-33)29-17-8-12-23-10-2-4-14-26(23)29/h1-21H
InChIKeyFAYAETQKBREFQM-UHFFFAOYSA-N
XLogP7.99
TPSA72.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.64
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3'-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)spiro[adamantane-2,9'-thioxanthene] 10',10'-dioxide
CID 166018110
2,4-dinaphthalen-1-yl-6-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 174244399
4-[4,6-bis[3-(4-fluorophenyl)phenyl]-1,3,5-triazin-2-yl]-26λ6-thiahexacyclo[25.4.0.02,7.08,13.014,19.020,25]hentriaconta-1(31),2(7),3,5,8,10,12,14,16,18,20,22,24,27,29-pentadecaene 26,26-dioxide
CID 134572110
2-[4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,8-diphenylthieno[2,3-f][1]benzothiol-6-yl]phenyl]dibenzothiophene 5,5-dioxide
CID 134595238
8-dibenzofuran-3-yl-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophene 5,5-dioxide
CID 176754995
2-naphthalen-1-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171592176
2-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]dibenzothiophene 5,5-dioxide
CID 163613885
2,4-dinaphthalen-1-yl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598334
2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076826
2-[3-naphthalen-1-yl-4-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146187509
2-[3-(2,4-diphenylphenyl)phenyl]-4-naphthalen-1-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 169297185
2-(4-chloro-3-phenylphenyl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 155450567

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzothiophene 5,5-dioxide?
The IUPAC name of 2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzothiophene 5,5-dioxide (CID 163540814) is 2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzothiophene 5,5-dioxide.
What is the SMILES notation for 2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzothiophene 5,5-dioxide?
The canonical SMILES for 2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzothiophene 5,5-dioxide is O=S1(=O)c2ccccc2-c2cc(-c3nc(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)n3)ccc21.
What is the InChIKey of 2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzothiophene 5,5-dioxide?
The InChIKey is FAYAETQKBREFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N3O2S/c39-41(40)31-18-6-5-15-27(31)30-21-24(19-20-32(30)41)33-36-34(28-16-7-11-22-9-1-3-13-25(22)28)38-35(37-33)29-17-8-12-23-10-2-4-14-26(23)29/h1-21H.
What are the key properties of 2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzothiophene 5,5-dioxide?
2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzothiophene 5,5-dioxide has a molecular weight of 547.64 g/mol, XLogP of 7.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzothiophene 5,5-dioxide is sourced from PubChem (CID 163540814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).