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

C40H24N4OS — CID 170681693

IUPAC6-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzothiazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc5nc(-c6ccccc6)sc5c4)nc(-c4cccc5oc6ccccc6c45)n3)c2)cc1
InChIInChI=1S/C40H24N4OS/c1-3-11-25(12-4-1)27-15-9-16-28(23-27)37-42-38(29-21-22-32-35(24-29)46-40(41-32)26-13-5-2-6-14-26)44-39(43-37)31-18-10-20-34-36(31)30-17-7-8-19-33(30)45-34/h1-24H
InChIKeyDSDCAPOZFNQTOC-UHFFFAOYSA-N
MW608.73 g/mol
LogP10.72
Rot. Bonds5

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

6-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzothiazole (PubChem CID 170681693) has the molecular formula C40H24N4OS and a molecular weight of 608.73 g/mol. Its IUPAC name is 6-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzothiazole.

Molecular Properties

Compound Name6-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzothiazole
PubChem CID170681693
Molecular FormulaC40H24N4OS
Molecular Weight608.73 g/mol
Exact Mass608.17
IUPAC Name6-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzothiazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc5nc(-c6ccccc6)sc5c4)nc(-c4cccc5oc6ccccc6c45)n3)c2)cc1
InChIInChI=1S/C40H24N4OS/c1-3-11-25(12-4-1)27-15-9-16-28(23-27)37-42-38(29-21-22-32-35(24-29)46-40(41-32)26-13-5-2-6-14-26)44-39(43-37)31-18-10-20-34-36(31)30-17-7-8-19-33(30)45-34/h1-24H
InChIKeyDSDCAPOZFNQTOC-UHFFFAOYSA-N
XLogP10.72
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.73
LogP ≤ 510.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

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-[4-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]phenyl]-1,3-benzothiazole;2-[4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]phenyl]-1,3-benzothiazole
CID 161158344
2-[3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-1,3-benzothiazole
CID 147663496
2-[3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzothiazole
CID 147919210
2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171607729
2-dibenzofuran-1-yl-4-phenyl-6-[7-(4-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 171597375
2-dibenzofuran-1-yl-4-phenyl-6-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 155328942
2-[9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-1,3-benzothiazole;2-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-1,3-benzothiazole
CID 160807672
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
5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzothiazole
CID 167129045
2-dibenzofuran-1-yl-4-(6-phenylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 162504507
6-[3-[3-[2-[6-(1,3-benzothiazol-2-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-2-[9-[2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidin-4-yl]dibenzofuran-4-yl]-1,3-benzothiazole
CID 147554645

Frequently Asked Questions

What is the IUPAC name of 6-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzothiazole?
The IUPAC name of 6-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzothiazole (CID 170681693) is 6-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzothiazole.
What is the SMILES notation for 6-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzothiazole?
The canonical SMILES for 6-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzothiazole is c1ccc(-c2cccc(-c3nc(-c4ccc5nc(-c6ccccc6)sc5c4)nc(-c4cccc5oc6ccccc6c45)n3)c2)cc1.
What is the InChIKey of 6-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzothiazole?
The InChIKey is DSDCAPOZFNQTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N4OS/c1-3-11-25(12-4-1)27-15-9-16-28(23-27)37-42-38(29-21-22-32-35(24-29)46-40(41-32)26-13-5-2-6-14-26)44-39(43-37)31-18-10-20-34-36(31)30-17-7-8-19-33(30)45-34/h1-24H.
What are the key properties of 6-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzothiazole?
6-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzothiazole has a molecular weight of 608.73 g/mol, XLogP of 10.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzothiazole is sourced from PubChem (CID 170681693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).