4-dibenzothiophen-1-yl-6-naphthalen-2-yl-2-(8-phenylnaphthalen-2-yl)-1,3,5-diazaborinine

C41H25BN2S — CID 177119646

IUPAC4-dibenzothiophen-1-yl-6-naphthalen-2-yl-2-(8-phenylnaphthalen-2-yl)-1,3,5-diazaborinine
SMILESb1c(-c2ccc3ccccc3c2)nc(-c2ccc3cccc(-c4ccccc4)c3c2)nc1-c1cccc2sc3ccccc3c12
InChIInChI=1S/C41H25BN2S/c1-2-11-27(12-3-1)32-16-8-14-28-21-23-31(25-35(28)32)41-43-39(30-22-20-26-10-4-5-13-29(26)24-30)42-40(44-41)34-17-9-19-37-38(34)33-15-6-7-18-36(33)45-37/h1-25H
InChIKeyFCKMGVYTDLLIDF-UHFFFAOYSA-N
MW588.54 g/mol
LogP11.16
Rot. Bonds4

About 4-dibenzothiophen-1-yl-6-naphthalen-2-yl-2-(8-phenylnaphthalen-2-yl)-1,3,5-diazaborinine

4-dibenzothiophen-1-yl-6-naphthalen-2-yl-2-(8-phenylnaphthalen-2-yl)-1,3,5-diazaborinine (PubChem CID 177119646) has the molecular formula C41H25BN2S and a molecular weight of 588.54 g/mol. Its IUPAC name is 4-dibenzothiophen-1-yl-6-naphthalen-2-yl-2-(8-phenylnaphthalen-2-yl)-1,3,5-diazaborinine.

Molecular Properties

Compound Name4-dibenzothiophen-1-yl-6-naphthalen-2-yl-2-(8-phenylnaphthalen-2-yl)-1,3,5-diazaborinine
PubChem CID177119646
Molecular FormulaC41H25BN2S
Molecular Weight588.54 g/mol
Exact Mass588.18
IUPAC Name4-dibenzothiophen-1-yl-6-naphthalen-2-yl-2-(8-phenylnaphthalen-2-yl)-1,3,5-diazaborinine
SMILESb1c(-c2ccc3ccccc3c2)nc(-c2ccc3cccc(-c4ccccc4)c3c2)nc1-c1cccc2sc3ccccc3c12
InChIInChI=1S/C41H25BN2S/c1-2-11-27(12-3-1)32-16-8-14-28-21-23-31(25-35(28)32)41-43-39(30-22-20-26-10-4-5-13-29(26)24-30)42-40(44-41)34-17-9-19-37-38(34)33-15-6-7-18-36(33)45-37/h1-25H
InChIKeyFCKMGVYTDLLIDF-UHFFFAOYSA-N
XLogP11.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.54
LogP ≤ 511.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-dibenzothiophen-1-ylnaphthalen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 146367339
2-(3-dibenzothiophen-1-ylphenyl)-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 139304442
2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 177119775
2-(4-dibenzothiophen-1-ylphenyl)-4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 159324879
2-dibenzothiophen-1-yl-4-(7-naphthalen-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176588371
2-chloro-4-dibenzothiophen-1-yl-6-[3-(8-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845129
2-dibenzothiophen-3-yl-4-[3-(8-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 168845077
4-(3-dibenzothiophen-1-yl-5-phenylphenyl)-6-naphthalen-2-yl-2-(3-phenylphenyl)pyrimidine
CID 171584997
2,4-dinaphthalen-1-yl-6-naphtho[2,1-b][1]benzothiol-2-yl-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-naphtho[2,1-b][1]benzothiol-4-yl-1,3,5-triazine;2-naphthalen-1-yl-4-naphthalen-2-yl-6-naphtho[2,1-b][1]benzothiol-3-yl-1,3,5-triazine;2-naphthalen-1-yl-4-naphtho[2,1-b][1]benzothiol-1-yl-6-phenyl-1,3,5-triazine
CID 159219658
2-naphthalen-2-yl-4-(2-phenyldibenzothiophen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 163574454
2,4-bis(4-dibenzothiophen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 139304432
2-[9-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170193405

Frequently Asked Questions

What is the IUPAC name of 4-dibenzothiophen-1-yl-6-naphthalen-2-yl-2-(8-phenylnaphthalen-2-yl)-1,3,5-diazaborinine?
The IUPAC name of 4-dibenzothiophen-1-yl-6-naphthalen-2-yl-2-(8-phenylnaphthalen-2-yl)-1,3,5-diazaborinine (CID 177119646) is 4-dibenzothiophen-1-yl-6-naphthalen-2-yl-2-(8-phenylnaphthalen-2-yl)-1,3,5-diazaborinine.
What is the SMILES notation for 4-dibenzothiophen-1-yl-6-naphthalen-2-yl-2-(8-phenylnaphthalen-2-yl)-1,3,5-diazaborinine?
The canonical SMILES for 4-dibenzothiophen-1-yl-6-naphthalen-2-yl-2-(8-phenylnaphthalen-2-yl)-1,3,5-diazaborinine is b1c(-c2ccc3ccccc3c2)nc(-c2ccc3cccc(-c4ccccc4)c3c2)nc1-c1cccc2sc3ccccc3c12.
What is the InChIKey of 4-dibenzothiophen-1-yl-6-naphthalen-2-yl-2-(8-phenylnaphthalen-2-yl)-1,3,5-diazaborinine?
The InChIKey is FCKMGVYTDLLIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25BN2S/c1-2-11-27(12-3-1)32-16-8-14-28-21-23-31(25-35(28)32)41-43-39(30-22-20-26-10-4-5-13-29(26)24-30)42-40(44-41)34-17-9-19-37-38(34)33-15-6-7-18-36(33)45-37/h1-25H.
What are the key properties of 4-dibenzothiophen-1-yl-6-naphthalen-2-yl-2-(8-phenylnaphthalen-2-yl)-1,3,5-diazaborinine?
4-dibenzothiophen-1-yl-6-naphthalen-2-yl-2-(8-phenylnaphthalen-2-yl)-1,3,5-diazaborinine has a molecular weight of 588.54 g/mol, XLogP of 11.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzothiophen-1-yl-6-naphthalen-2-yl-2-(8-phenylnaphthalen-2-yl)-1,3,5-diazaborinine is sourced from PubChem (CID 177119646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).