4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenyl-1,3-benzothiazole

C38H24N4S — CID 153310227

IUPAC4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenyl-1,3-benzothiazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5sc(-c6ccccc6)nc45)c4ccccc34)n2)cc1
InChIInChI=1S/C38H24N4S/c1-4-13-25(14-5-1)35-40-36(26-15-6-2-7-16-26)42-37(41-35)32-24-23-30(28-19-10-11-20-29(28)32)31-21-12-22-33-34(31)39-38(43-33)27-17-8-3-9-18-27/h1-24H
InChIKeyFWIZPKGMUILWJS-UHFFFAOYSA-N
MW568.71 g/mol
LogP9.97
Rot. Bonds5

About 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenyl-1,3-benzothiazole

4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenyl-1,3-benzothiazole (PubChem CID 153310227) has the molecular formula C38H24N4S and a molecular weight of 568.71 g/mol. Its IUPAC name is 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenyl-1,3-benzothiazole.

Molecular Properties

Compound Name4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenyl-1,3-benzothiazole
PubChem CID153310227
Molecular FormulaC38H24N4S
Molecular Weight568.71 g/mol
Exact Mass568.17
IUPAC Name4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenyl-1,3-benzothiazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5sc(-c6ccccc6)nc45)c4ccccc34)n2)cc1
InChIInChI=1S/C38H24N4S/c1-4-13-25(14-5-1)35-40-36(26-15-6-2-7-16-26)42-37(41-35)32-24-23-30(28-19-10-11-20-29(28)32)31-21-12-22-33-34(31)39-38(43-33)27-17-8-3-9-18-27/h1-24H
InChIKeyFWIZPKGMUILWJS-UHFFFAOYSA-N
XLogP9.97
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.71
LogP ≤ 59.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzothiazole
CID 153310370
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole
CID 148856781
4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenyl-1,3-benzothiazole
CID 170681559
2-phenyl-4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-1,3-benzothiazole
CID 147940482
2-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 164737126
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylnaphtho[1,2-e][1,3]benzothiazole
CID 126614324
8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenanthro[9,10-d][1,3]thiazole
CID 163737233
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-8-ylphenyl]-2-phenyl-1,3-benzothiazole
CID 146964994
4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzothiazole
CID 171455335
2-naphtho[1,2-b][1]benzothiol-4-yl-4,6-diphenyl-1,3,5-triazine
CID 146658673
2-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731887
4,7-di(dibenzothiophen-4-yl)-2-phenyl-1,3-benzothiazole
CID 121425689

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenyl-1,3-benzothiazole?
The IUPAC name of 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenyl-1,3-benzothiazole (CID 153310227) is 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenyl-1,3-benzothiazole.
What is the SMILES notation for 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenyl-1,3-benzothiazole?
The canonical SMILES for 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenyl-1,3-benzothiazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5sc(-c6ccccc6)nc45)c4ccccc34)n2)cc1.
What is the InChIKey of 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenyl-1,3-benzothiazole?
The InChIKey is FWIZPKGMUILWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4S/c1-4-13-25(14-5-1)35-40-36(26-15-6-2-7-16-26)42-37(41-35)32-24-23-30(28-19-10-11-20-29(28)32)31-21-12-22-33-34(31)39-38(43-33)27-17-8-3-9-18-27/h1-24H.
What are the key properties of 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenyl-1,3-benzothiazole?
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenyl-1,3-benzothiazole has a molecular weight of 568.71 g/mol, XLogP of 9.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenyl-1,3-benzothiazole is sourced from PubChem (CID 153310227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).