8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)-[1]benzothiolo[2,3-f][1,3]benzothiazole

C44H26N4S2 — CID 171456461

IUPAC8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)-[1]benzothiolo[2,3-f][1,3]benzothiazole
SMILESc1ccc(-c2ccc(-c3nc4cc5sc6c(-c7nc(-c8ccccc8)nc(-c8ccc9ccccc9c8)n7)cccc6c5cc4s3)cc2)cc1
InChIInChI=1S/C44H26N4S2/c1-3-10-27(11-4-1)29-18-21-31(22-19-29)44-45-37-26-38-36(25-39(37)50-44)34-16-9-17-35(40(34)49-38)43-47-41(30-13-5-2-6-14-30)46-42(48-43)33-23-20-28-12-7-8-15-32(28)24-33/h1-26H
InChIKeyVYAYYEVYHMXWBK-UHFFFAOYSA-N
MW674.85 g/mol
LogP12.34
Rot. Bonds5

About 8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)-[1]benzothiolo[2,3-f][1,3]benzothiazole

8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)-[1]benzothiolo[2,3-f][1,3]benzothiazole (PubChem CID 171456461) has the molecular formula C44H26N4S2 and a molecular weight of 674.85 g/mol. Its IUPAC name is 8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)-[1]benzothiolo[2,3-f][1,3]benzothiazole.

Molecular Properties

Compound Name8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)-[1]benzothiolo[2,3-f][1,3]benzothiazole
PubChem CID171456461
Molecular FormulaC44H26N4S2
Molecular Weight674.85 g/mol
Exact Mass674.16
IUPAC Name8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)-[1]benzothiolo[2,3-f][1,3]benzothiazole
SMILESc1ccc(-c2ccc(-c3nc4cc5sc6c(-c7nc(-c8ccccc8)nc(-c8ccc9ccccc9c8)n7)cccc6c5cc4s3)cc2)cc1
InChIInChI=1S/C44H26N4S2/c1-3-10-27(11-4-1)29-18-21-31(22-19-29)44-45-37-26-38-36(25-39(37)50-44)34-16-9-17-35(40(34)49-38)43-47-41(30-13-5-2-6-14-30)46-42(48-43)33-23-20-28-12-7-8-15-32(28)24-33/h1-26H
InChIKeyVYAYYEVYHMXWBK-UHFFFAOYSA-N
XLogP12.34
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.85
LogP ≤ 512.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)-[1]benzothiolo[2,3-f][1,3]benzothiazole with MolForge

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Related Compounds

8-[4-naphthalen-2-yl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-2-phenyl-[1]benzothiolo[2,3-f][1,3]benzothiazole
CID 171455916
2-phenyl-5-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-f][1,3]benzothiazole
CID 171455938
5-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-[1]benzothiolo[2,3-f][1,3]benzothiazole
CID 171455522
2-dibenzothiophen-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441895
2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 177119517
2-dibenzothiophen-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 139441907
2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[4-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 139441659
2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[6-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 139442046
2-naphthalen-2-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-f][1,3]benzothiazole
CID 167127873
2-dibenzothiophen-4-yl-4-(7-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168744219
2-phenyl-5-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-f][1,3]benzothiazole
CID 171456417
2-dibenzothiophen-4-yl-4-(3-naphthalen-1-ylphenyl)-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 161018088

Frequently Asked Questions

What is the IUPAC name of 8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)-[1]benzothiolo[2,3-f][1,3]benzothiazole?
The IUPAC name of 8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)-[1]benzothiolo[2,3-f][1,3]benzothiazole (CID 171456461) is 8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)-[1]benzothiolo[2,3-f][1,3]benzothiazole.
What is the SMILES notation for 8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)-[1]benzothiolo[2,3-f][1,3]benzothiazole?
The canonical SMILES for 8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)-[1]benzothiolo[2,3-f][1,3]benzothiazole is c1ccc(-c2ccc(-c3nc4cc5sc6c(-c7nc(-c8ccccc8)nc(-c8ccc9ccccc9c8)n7)cccc6c5cc4s3)cc2)cc1.
What is the InChIKey of 8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)-[1]benzothiolo[2,3-f][1,3]benzothiazole?
The InChIKey is VYAYYEVYHMXWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4S2/c1-3-10-27(11-4-1)29-18-21-31(22-19-29)44-45-37-26-38-36(25-39(37)50-44)34-16-9-17-35(40(34)49-38)43-47-41(30-13-5-2-6-14-30)46-42(48-43)33-23-20-28-12-7-8-15-32(28)24-33/h1-26H.
What are the key properties of 8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)-[1]benzothiolo[2,3-f][1,3]benzothiazole?
8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)-[1]benzothiolo[2,3-f][1,3]benzothiazole has a molecular weight of 674.85 g/mol, XLogP of 12.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)-[1]benzothiolo[2,3-f][1,3]benzothiazole is sourced from PubChem (CID 171456461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).