10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazole

C38H22N4OS — CID 170396419

IUPAC10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazole
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4oc5ccc6nc(-c7ccccc7)sc6c5c34)n2)cc1
InChIInChI=1S/C38H22N4OS/c1-3-11-24(12-4-1)35-40-36(27-19-18-23-10-7-8-15-26(23)22-27)42-37(41-35)28-16-9-17-30-32(28)33-31(43-30)21-20-29-34(33)44-38(39-29)25-13-5-2-6-14-25/h1-22H
InChIKeyIOIVIVPSRKNNFX-UHFFFAOYSA-N
MW582.69 g/mol
LogP10.20
Rot. Bonds4

About 10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazole

10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazole (PubChem CID 170396419) has the molecular formula C38H22N4OS and a molecular weight of 582.69 g/mol. Its IUPAC name is 10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazole.

Molecular Properties

Compound Name10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazole
PubChem CID170396419
Molecular FormulaC38H22N4OS
Molecular Weight582.69 g/mol
Exact Mass582.15
IUPAC Name10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazole
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4oc5ccc6nc(-c7ccccc7)sc6c5c34)n2)cc1
InChIInChI=1S/C38H22N4OS/c1-3-11-24(12-4-1)35-40-36(27-19-18-23-10-7-8-15-26(23)22-27)42-37(41-35)28-16-9-17-30-32(28)33-31(43-30)21-20-29-34(33)44-38(39-29)25-13-5-2-6-14-25/h1-22H
InChIKeyIOIVIVPSRKNNFX-UHFFFAOYSA-N
XLogP10.20
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.69
LogP ≤ 510.20
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
2-[2-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[g][1,3]benzothiazole
CID 163951664
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-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-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164972990
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-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 134198448
2-dibenzofuran-1-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 164747858
2,4-di(dibenzofuran-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 163874534
6-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]quinoline
CID 166502391
4-[4-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazole
CID 167129015
2-naphthalen-2-yl-4-(8-phenyldibenzofuran-1-yl)-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170016716

Frequently Asked Questions

What is the IUPAC name of 10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazole?
The IUPAC name of 10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazole (CID 170396419) is 10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazole.
What is the SMILES notation for 10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazole?
The canonical SMILES for 10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazole is c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4oc5ccc6nc(-c7ccccc7)sc6c5c34)n2)cc1.
What is the InChIKey of 10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazole?
The InChIKey is IOIVIVPSRKNNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4OS/c1-3-11-24(12-4-1)35-40-36(27-19-18-23-10-7-8-15-26(23)22-27)42-37(41-35)28-16-9-17-30-32(28)33-31(43-30)21-20-29-34(33)44-38(39-29)25-13-5-2-6-14-25/h1-22H.
What are the key properties of 10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazole?
10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazole has a molecular weight of 582.69 g/mol, XLogP of 10.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazole is sourced from PubChem (CID 170396419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).