2-dibenzothiophen-1-yl-7-[4-phenyl-6-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-e][1,3]benzothiazole

C50H28N4S3 — CID 171411768

IUPAC2-dibenzothiophen-1-yl-7-[4-phenyl-6-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-e][1,3]benzothiazole
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3-c3ccccc3)nc(-c3cccc4c3sc3ccc5sc(-c6cccc7sc8ccccc8c67)nc5c34)n2)cc1
InChIInChI=1S/C50H28N4S3/c1-3-14-30(15-4-1)42-32-18-8-7-13-29(32)25-26-35(42)48-52-47(31-16-5-2-6-17-31)53-49(54-48)37-22-11-20-34-44-40(56-46(34)37)27-28-41-45(44)51-50(57-41)36-21-12-24-39-43(36)33-19-9-10-23-38(33)55-39/h1-28H
InChIKeyYYPGDSOTVPWLPB-UHFFFAOYSA-N
MW781.00 g/mol
LogP14.71
Rot. Bonds5

About 2-dibenzothiophen-1-yl-7-[4-phenyl-6-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-e][1,3]benzothiazole

2-dibenzothiophen-1-yl-7-[4-phenyl-6-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-e][1,3]benzothiazole (PubChem CID 171411768) has the molecular formula C50H28N4S3 and a molecular weight of 781.00 g/mol. Its IUPAC name is 2-dibenzothiophen-1-yl-7-[4-phenyl-6-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-e][1,3]benzothiazole.

Molecular Properties

Compound Name2-dibenzothiophen-1-yl-7-[4-phenyl-6-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-e][1,3]benzothiazole
PubChem CID171411768
Molecular FormulaC50H28N4S3
Molecular Weight781.00 g/mol
Exact Mass780.15
IUPAC Name2-dibenzothiophen-1-yl-7-[4-phenyl-6-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-e][1,3]benzothiazole
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3-c3ccccc3)nc(-c3cccc4c3sc3ccc5sc(-c6cccc7sc8ccccc8c67)nc5c34)n2)cc1
InChIInChI=1S/C50H28N4S3/c1-3-14-30(15-4-1)42-32-18-8-7-13-29(32)25-26-35(42)48-52-47(31-16-5-2-6-17-31)53-49(54-48)37-22-11-20-34-44-40(56-46(34)37)27-28-41-45(44)51-50(57-41)36-21-12-24-39-43(36)33-19-9-10-23-38(33)55-39/h1-28H
InChIKeyYYPGDSOTVPWLPB-UHFFFAOYSA-N
XLogP14.71
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.00
LogP ≤ 514.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-dibenzothiophen-1-yl-7-[4-phenyl-6-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-e][1,3]benzothiazole with MolForge

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Related Compounds

2-dibenzothiophen-4-yl-4-phenyl-6-[4-[4-(2-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine
CID 139442114
2-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-e][1,3]benzothiazole
CID 171411374
2-dibenzothiophen-4-yl-4,6-bis(2-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 155480714
2-dibenzothiophen-4-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-f][1,3]benzothiazole
CID 171455848
2-(9-dibenzothiophen-4-yldibenzothiophen-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953027
2-phenyl-4-[9-(4-phenyldibenzothiophen-1-yl)dibenzothiophen-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170200044
2,4-di(dibenzothiophen-4-yl)-6-[2-(2-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 167349176
2-dibenzothiophen-4-yl-4-phenyl-6-[2-[2-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]-1,3,5-triazine
CID 139442223
2,4-diphenyl-6-[6-(1-phenyldibenzothiophen-4-yl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 170199450
2,4-diphenyl-6-[9-[1-(4-phenylphenyl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]-1,3,5-triazine
CID 170202059
2-phenyl-4-[9-(1-phenyldibenzothiophen-4-yl)dibenzothiophen-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170200058
2-dibenzothiophen-4-yl-4-(2-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 139442293

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-1-yl-7-[4-phenyl-6-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-e][1,3]benzothiazole?
The IUPAC name of 2-dibenzothiophen-1-yl-7-[4-phenyl-6-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-e][1,3]benzothiazole (CID 171411768) is 2-dibenzothiophen-1-yl-7-[4-phenyl-6-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-e][1,3]benzothiazole.
What is the SMILES notation for 2-dibenzothiophen-1-yl-7-[4-phenyl-6-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-e][1,3]benzothiazole?
The canonical SMILES for 2-dibenzothiophen-1-yl-7-[4-phenyl-6-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-e][1,3]benzothiazole is c1ccc(-c2nc(-c3ccc4ccccc4c3-c3ccccc3)nc(-c3cccc4c3sc3ccc5sc(-c6cccc7sc8ccccc8c67)nc5c34)n2)cc1.
What is the InChIKey of 2-dibenzothiophen-1-yl-7-[4-phenyl-6-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-e][1,3]benzothiazole?
The InChIKey is YYPGDSOTVPWLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28N4S3/c1-3-14-30(15-4-1)42-32-18-8-7-13-29(32)25-26-35(42)48-52-47(31-16-5-2-6-17-31)53-49(54-48)37-22-11-20-34-44-40(56-46(34)37)27-28-41-45(44)51-50(57-41)36-21-12-24-39-43(36)33-19-9-10-23-38(33)55-39/h1-28H.
What are the key properties of 2-dibenzothiophen-1-yl-7-[4-phenyl-6-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-e][1,3]benzothiazole?
2-dibenzothiophen-1-yl-7-[4-phenyl-6-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-e][1,3]benzothiazole has a molecular weight of 781.00 g/mol, XLogP of 14.71, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-1-yl-7-[4-phenyl-6-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-e][1,3]benzothiazole is sourced from PubChem (CID 171411768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).