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

C46H28N4OS — CID 146513437

IUPAC2-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3-benzothiazole
SMILESc1ccc(-c2ccc3nc(-c4cccc(-c5cccc6c5oc5c(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cccc56)c4)sc3c2)cc1
InChIInChI=1S/C46H28N4OS/c1-4-13-29(14-5-1)32-25-26-39-40(28-32)52-46(47-39)34-20-10-19-33(27-34)35-21-11-22-36-37-23-12-24-38(42(37)51-41(35)36)45-49-43(30-15-6-2-7-16-30)48-44(50-45)31-17-8-3-9-18-31/h1-28H
InChIKeyXMJMWHJZEMABIA-UHFFFAOYSA-N
MW684.82 g/mol
LogP12.38
Rot. Bonds6

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

2-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3-benzothiazole (PubChem CID 146513437) has the molecular formula C46H28N4OS and a molecular weight of 684.82 g/mol. Its IUPAC name is 2-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3-benzothiazole
PubChem CID146513437
Molecular FormulaC46H28N4OS
Molecular Weight684.82 g/mol
Exact Mass684.20
IUPAC Name2-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3-benzothiazole
SMILESc1ccc(-c2ccc3nc(-c4cccc(-c5cccc6c5oc5c(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cccc56)c4)sc3c2)cc1
InChIInChI=1S/C46H28N4OS/c1-4-13-29(14-5-1)32-25-26-39-40(28-32)52-46(47-39)34-20-10-19-33(27-34)35-21-11-22-36-37-23-12-24-38(42(37)51-41(35)36)45-49-43(30-15-6-2-7-16-30)48-44(50-45)31-17-8-3-9-18-31/h1-28H
InChIKeyXMJMWHJZEMABIA-UHFFFAOYSA-N
XLogP12.38
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.82
LogP ≤ 512.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-diphenyl-6-[6-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-yl]-1,3,5-triazine
CID 171414948
2-phenyl-4-(3-phenylphenyl)-6-[4-[6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 177144922
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
6-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzothiazole
CID 170681693
2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 164797297
2-phenyl-4,6-bis[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 139549183
2-[4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]phenyl]-1,3-benzothiazole
CID 149158091
2-phenyl-4-(3-phenylphenyl)-6-[3-phenyl-5-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 118650966
2,4-diphenyl-6-[5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine
CID 176818567
6-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzothiazole
CID 171756575
2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 154613908
2-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 176817768

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3-benzothiazole?
The IUPAC name of 2-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3-benzothiazole (CID 146513437) is 2-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3-benzothiazole.
What is the SMILES notation for 2-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3-benzothiazole?
The canonical SMILES for 2-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3-benzothiazole is c1ccc(-c2ccc3nc(-c4cccc(-c5cccc6c5oc5c(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cccc56)c4)sc3c2)cc1.
What is the InChIKey of 2-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3-benzothiazole?
The InChIKey is XMJMWHJZEMABIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4OS/c1-4-13-29(14-5-1)32-25-26-39-40(28-32)52-46(47-39)34-20-10-19-33(27-34)35-21-11-22-36-37-23-12-24-38(42(37)51-41(35)36)45-49-43(30-15-6-2-7-16-30)48-44(50-45)31-17-8-3-9-18-31/h1-28H.
What are the key properties of 2-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3-benzothiazole?
2-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3-benzothiazole has a molecular weight of 684.82 g/mol, XLogP of 12.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3-benzothiazole is sourced from PubChem (CID 146513437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).