2-naphtho[2,1-b][1]benzothiol-4-yl-4,6-diphenyl-1,3,5-triazine

C31H19N3S — CID 155474127

IUPAC2-naphtho[2,1-b][1]benzothiol-4-yl-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3ccc3sc5ccccc5c34)n2)cc1
InChIInChI=1S/C31H19N3S/c1-3-10-20(11-4-1)29-32-30(21-12-5-2-6-13-21)34-31(33-29)24-16-9-15-23-22(24)18-19-27-28(23)25-14-7-8-17-26(25)35-27/h1-19H
InChIKeyAJHJEJNQZXWEOH-UHFFFAOYSA-N
MW465.58 g/mol
LogP8.39
Rot. Bonds3

About 2-naphtho[2,1-b][1]benzothiol-4-yl-4,6-diphenyl-1,3,5-triazine

2-naphtho[2,1-b][1]benzothiol-4-yl-4,6-diphenyl-1,3,5-triazine (PubChem CID 155474127) has the molecular formula C31H19N3S and a molecular weight of 465.58 g/mol. Its IUPAC name is 2-naphtho[2,1-b][1]benzothiol-4-yl-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-naphtho[2,1-b][1]benzothiol-4-yl-4,6-diphenyl-1,3,5-triazine
PubChem CID155474127
Molecular FormulaC31H19N3S
Molecular Weight465.58 g/mol
Exact Mass465.13
IUPAC Name2-naphtho[2,1-b][1]benzothiol-4-yl-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3ccc3sc5ccccc5c34)n2)cc1
InChIInChI=1S/C31H19N3S/c1-3-10-20(11-4-1)29-32-30(21-12-5-2-6-13-21)34-31(33-29)24-16-9-15-23-22(24)18-19-27-28(23)25-14-7-8-17-26(25)35-27/h1-19H
InChIKeyAJHJEJNQZXWEOH-UHFFFAOYSA-N
XLogP8.39
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.58
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-bis(4-dibenzothiophen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 139304432
2-dibenzothiophen-1-yl-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 139305007
2-naphtho[2,1-b][1]benzothiol-1-yl-4,6-diphenyl-1,3,5-triazine;2-naphtho[2,1-b][1]benzothiol-2-yl-4,6-diphenyl-1,3,5-triazine;2-naphtho[2,1-b][1]benzothiol-3-yl-4,6-diphenyl-1,3,5-triazine;2-naphtho[2,1-b][1]benzothiol-4-yl-4,6-diphenyl-1,3,5-triazine
CID 162207271
2,4-di(dibenzothiophen-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 139304948
2-dibenzothiophen-1-yl-4-phenyl-6-[4-(8-triphenylen-2-yldibenzothiophen-1-yl)phenyl]-1,3,5-triazine
CID 134199441
2-[9-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170193405
2,4-di(dibenzothiophen-1-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine
CID 164984529
2-naphtho[1,2-b][1]benzothiol-4-yl-4,6-diphenyl-1,3,5-triazine
CID 146658673
2-dibenzothiophen-2-yl-4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine
CID 155050063
2-[4-(4-chlorophenyl)phenyl]-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine
CID 166916860
2-[3-(3-naphtho[2,1-b][1]benzothiol-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134430175
2-[4-[4-(4-dibenzothiophen-1-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 164942599

Frequently Asked Questions

What is the IUPAC name of 2-naphtho[2,1-b][1]benzothiol-4-yl-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-naphtho[2,1-b][1]benzothiol-4-yl-4,6-diphenyl-1,3,5-triazine (CID 155474127) is 2-naphtho[2,1-b][1]benzothiol-4-yl-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-naphtho[2,1-b][1]benzothiol-4-yl-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-naphtho[2,1-b][1]benzothiol-4-yl-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3ccc3sc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-naphtho[2,1-b][1]benzothiol-4-yl-4,6-diphenyl-1,3,5-triazine?
The InChIKey is AJHJEJNQZXWEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N3S/c1-3-10-20(11-4-1)29-32-30(21-12-5-2-6-13-21)34-31(33-29)24-16-9-15-23-22(24)18-19-27-28(23)25-14-7-8-17-26(25)35-27/h1-19H.
What are the key properties of 2-naphtho[2,1-b][1]benzothiol-4-yl-4,6-diphenyl-1,3,5-triazine?
2-naphtho[2,1-b][1]benzothiol-4-yl-4,6-diphenyl-1,3,5-triazine has a molecular weight of 465.58 g/mol, XLogP of 8.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphtho[2,1-b][1]benzothiol-4-yl-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 155474127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).