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

C42H24N4OS — CID 167128062

IUPAC2-naphthalen-2-yl-6-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-f][1,3]benzothiazole
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4oc5cc6sc(-c7ccc8ccccc8c7)nc6cc5c4c3)n2)cc1
InChIInChI=1S/C42H24N4OS/c1-2-10-27(11-3-1)39-44-40(30-16-14-25-8-4-6-12-28(25)20-30)46-41(45-39)31-18-19-36-33(22-31)34-23-35-38(24-37(34)47-36)48-42(43-35)32-17-15-26-9-5-7-13-29(26)21-32/h1-24H
InChIKeyCENKKXXYMDIAGY-UHFFFAOYSA-N
MW632.75 g/mol
LogP11.36
Rot. Bonds4

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

2-naphthalen-2-yl-6-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-f][1,3]benzothiazole (PubChem CID 167128062) has the molecular formula C42H24N4OS and a molecular weight of 632.75 g/mol. Its IUPAC name is 2-naphthalen-2-yl-6-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-f][1,3]benzothiazole.

Molecular Properties

Compound Name2-naphthalen-2-yl-6-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-f][1,3]benzothiazole
PubChem CID167128062
Molecular FormulaC42H24N4OS
Molecular Weight632.75 g/mol
Exact Mass632.17
IUPAC Name2-naphthalen-2-yl-6-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-f][1,3]benzothiazole
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4oc5cc6sc(-c7ccc8ccccc8c7)nc6cc5c4c3)n2)cc1
InChIInChI=1S/C42H24N4OS/c1-2-10-27(11-3-1)39-44-40(30-16-14-25-8-4-6-12-28(25)20-30)46-41(45-39)31-18-19-36-33(22-31)34-23-35-38(24-37(34)47-36)48-42(43-35)32-17-15-26-9-5-7-13-29(26)21-32/h1-24H
InChIKeyCENKKXXYMDIAGY-UHFFFAOYSA-N
XLogP11.36
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.75
LogP ≤ 511.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole
CID 167127109
5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole
CID 167127132
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-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 163505660
2-phenyl-5-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-f][1,3]benzothiazole
CID 167128538
2-(8-naphthalen-2-yldibenzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 167402984
2,4-dinaphthalen-2-yl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 176616855
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-1,3-benzothiazole
CID 134237425
7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzothiazole
CID 167128006
2-(8-naphthalen-2-yldibenzofuran-2-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 176616795
6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-1,3-benzothiazole
CID 153310078
2,4-dinaphthalen-2-yl-6-(7-naphthalen-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 163653920

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-6-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-f][1,3]benzothiazole?
The IUPAC name of 2-naphthalen-2-yl-6-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-f][1,3]benzothiazole (CID 167128062) is 2-naphthalen-2-yl-6-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-f][1,3]benzothiazole.
What is the SMILES notation for 2-naphthalen-2-yl-6-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-f][1,3]benzothiazole?
The canonical SMILES for 2-naphthalen-2-yl-6-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-f][1,3]benzothiazole is c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4oc5cc6sc(-c7ccc8ccccc8c7)nc6cc5c4c3)n2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-6-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-f][1,3]benzothiazole?
The InChIKey is CENKKXXYMDIAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N4OS/c1-2-10-27(11-3-1)39-44-40(30-16-14-25-8-4-6-12-28(25)20-30)46-41(45-39)31-18-19-36-33(22-31)34-23-35-38(24-37(34)47-36)48-42(43-35)32-17-15-26-9-5-7-13-29(26)21-32/h1-24H.
What are the key properties of 2-naphthalen-2-yl-6-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-f][1,3]benzothiazole?
2-naphthalen-2-yl-6-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-f][1,3]benzothiazole has a molecular weight of 632.75 g/mol, XLogP of 11.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-6-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-f][1,3]benzothiazole is sourced from PubChem (CID 167128062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).