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

C124H76N12S4 — CID 162207271

IUPAC2-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
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(ccc5sc6ccccc6c54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc5sc6ccccc6c5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3ccc3sc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4ccc5sc6ccccc6c5c34)n2)cc1
InChIInChI=1S/4C31H19N3S/c1-3-10-21(11-4-1)29-32-30(22-12-5-2-6-13-22)34-31(33-29)24-16-9-14-20-18-19-26-28(27(20)24)23-15-7-8-17-25(23)35-26;1-3-10-20(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;1-3-9-20(10-4-1)29-32-30(21-11-5-2-6-12-21)34-31(33-29)23-15-17-24-22(19-23)16-18-27-28(24)25-13-7-8-14-26(25)35-27;1-3-9-21(10-4-1)29-32-30(22-11-5-2-6-12-22)34-31(33-29)23-16-15-20-17-18-27-28(25(20)19-23)24-13-7-8-14-26(24)35-27/h4*1-19H
InChIKeyZSJDCYHCNDHSDE-UHFFFAOYSA-N
MW1862.32 g/mol
LogP33.57
Rot. Bonds12

About 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

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 (PubChem CID 162207271) has the molecular formula C124H76N12S4 and a molecular weight of 1862.32 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID162207271
Molecular FormulaC124H76N12S4
Molecular Weight1862.32 g/mol
Exact Mass1860.52
IUPAC Name2-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
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(ccc5sc6ccccc6c54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc5sc6ccccc6c5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3ccc3sc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4ccc5sc6ccccc6c5c34)n2)cc1
InChIInChI=1S/4C31H19N3S/c1-3-10-21(11-4-1)29-32-30(22-12-5-2-6-13-22)34-31(33-29)24-16-9-14-20-18-19-26-28(27(20)24)23-15-7-8-17-25(23)35-26;1-3-10-20(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;1-3-9-20(10-4-1)29-32-30(21-11-5-2-6-12-21)34-31(33-29)23-15-17-24-22(19-23)16-18-27-28(24)25-13-7-8-14-26(25)35-27;1-3-9-21(10-4-1)29-32-30(22-11-5-2-6-12-22)34-31(33-29)23-16-15-20-17-18-27-28(25(20)19-23)24-13-7-8-14-26(24)35-27/h4*1-19H
InChIKeyZSJDCYHCNDHSDE-UHFFFAOYSA-N
XLogP33.57
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001862.32
LogP ≤ 533.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Related Compounds

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-(8-chrysen-2-yldibenzothiophen-1-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine
CID 155762434
2-naphtho[2,1-b][1]benzothiol-3-yl-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 155473967
2-naphtho[2,1-b][1]benzothiol-4-yl-4,6-diphenyl-1,3,5-triazine
CID 155474127
2-dibenzothiophen-1-yl-4-(7-naphthalen-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176588371
2-phenyl-4-(4-phenylphenyl)-6-(18-thiahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-yl)-1,3,5-triazine
CID 164721675
2-[3-(3-naphtho[2,1-b][1]benzothiol-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134430175
2-dibenzothiophen-1-yl-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 139305007
2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 177119775
2-chrysen-1-yl-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 168795993
2-dibenzothiophen-2-yl-4-(4-phenanthren-4-ylphenyl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 169278832
2-dibenzothiophen-2-yl-4-phenanthren-4-yl-6-(2-phenylphenyl)-1,3,5-triazine
CID 169278929

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(ccc5sc6ccccc6c54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc5sc6ccccc6c5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3ccc3sc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4ccc5sc6ccccc6c5c34)n2)cc1.
What is the InChIKey of 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?
The InChIKey is ZSJDCYHCNDHSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/4C31H19N3S/c1-3-10-21(11-4-1)29-32-30(22-12-5-2-6-13-22)34-31(33-29)24-16-9-14-20-18-19-26-28(27(20)24)23-15-7-8-17-25(23)35-26;1-3-10-20(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;1-3-9-20(10-4-1)29-32-30(21-11-5-2-6-12-21)34-31(33-29)23-15-17-24-22(19-23)16-18-27-28(24)25-13-7-8-14-26(25)35-27;1-3-9-21(10-4-1)29-32-30(22-11-5-2-6-12-22)34-31(33-29)23-16-15-20-17-18-27-28(25(20)19-23)24-13-7-8-14-26(24)35-27/h4*1-19H.
What are the key properties of 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?
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 has a molecular weight of 1862.32 g/mol, XLogP of 33.57, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162207271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).