8-dibenzofuran-4-yl-2-phenylbenzo[g][1,3]benzothiazole;8-(3-dibenzofuran-4-ylphenyl)-2-phenyl-1,2-dihydrobenzo[e][1,3]benzoxazole;8-(3-dibenzothiophen-4-ylphenyl)-2-phenylbenzo[e][1,3]benzoxazole;8-(4,6-diphenylpyrimidin-2-yl)-2-phenylbenzo[g][1,3]benzothiazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzothiazole;8-isoquinolin-1-yl-2-phenylbenzo[g][1,3]benzothiazole;2-phenyl-8-(4-phenylquinazolin-2-yl)benzo[g][1,3]benzothiazole;2-phenyl-8-quinolin-2-ylbenzo[g][1,3]benzothiazole

C247H153N17O4S7 — CID 159274898

About 8-dibenzofuran-4-yl-2-phenylbenzo[g][1,3]benzothiazole;8-(3-dibenzofuran-4-ylphenyl)-2-phenyl-1,2-dihydrobenzo[e][1,3]benzoxazole;8-(3-dibenzothiophen-4-ylphenyl)-2-phenylbenzo[e][1,3]benzoxazole;8-(4,6-diphenylpyrimidin-2-yl)-2-phenylbenzo[g][1,3]benzothiazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzothiazole;8-isoquinolin-1-yl-2-phenylbenzo[g][1,3]benzothiazole;2-phenyl-8-(4-phenylquinazolin-2-yl)benzo[g][1,3]benzothiazole;2-phenyl-8-quinolin-2-ylbenzo[g][1,3]benzothiazole

8-dibenzofuran-4-yl-2-phenylbenzo[g][1,3]benzothiazole;8-(3-dibenzofuran-4-ylphenyl)-2-phenyl-1,2-dihydrobenzo[e][1,3]benzoxazole;8-(3-dibenzothiophen-4-ylphenyl)-2-phenylbenzo[e][1,3]benzoxazole;8-(4,6-diphenylpyrimidin-2-yl)-2-phenylbenzo[g][1,3]benzothiazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzothiazole;8-isoquinolin-1-yl-2-phenylbenzo[g][1,3]benzothiazole;2-phenyl-8-(4-phenylquinazolin-2-yl)benzo[g][1,3]benzothiazole;2-phenyl-8-quinolin-2-ylbenzo[g][1,3]benzothiazole (PubChem CID 159274898) has the molecular formula C247H153N17O4S7 and a molecular weight of 3647.52 g/mol. Its IUPAC name is 8-dibenzofuran-4-yl-2-phenylbenzo[g][1,3]benzothiazole;8-(3-dibenzofuran-4-ylphenyl)-2-phenyl-1,2-dihydrobenzo[e][1,3]benzoxazole;8-(3-dibenzothiophen-4-ylphenyl)-2-phenylbenzo[e][1,3]benzoxazole;8-(4,6-diphenylpyrimidin-2-yl)-2-phenylbenzo[g][1,3]benzothiazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzothiazole;8-isoquinolin-1-yl-2-phenylbenzo[g][1,3]benzothiazole;2-phenyl-8-(4-phenylquinazolin-2-yl)benzo[g][1,3]benzothiazole;2-phenyl-8-quinolin-2-ylbenzo[g][1,3]benzothiazole.

Molecular Properties

• Compound Name: 8-dibenzofuran-4-yl-2-phenylbenzo[g][1,3]benzothiazole;8-(3-dibenzofuran-4-ylphenyl)-2-phenyl-1,2-dihydrobenzo[e][1,3]benzoxazole;8-(3-dibenzothiophen-4-ylphenyl)-2-phenylbenzo[e][1,3]benzoxazole;8-(4,6-diphenylpyrimidin-2-yl)-2-phenylbenzo[g][1,3]benzothiazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzothiazole;8-isoquinolin-1-yl-2-phenylbenzo[g][1,3]benzothiazole;2-phenyl-8-(4-phenylquinazolin-2-yl)benzo[g][1,3]benzothiazole;2-phenyl-8-quinolin-2-ylbenzo[g][1,3]benzothiazole
• PubChem CID: 159274898
• Molecular Formula: C247H153N17O4S7
• Molecular Weight: 3647.52 g/mol
• Exact Mass: 3644.03
• IUPAC Name: 8-dibenzofuran-4-yl-2-phenylbenzo[g][1,3]benzothiazole;8-(3-dibenzofuran-4-ylphenyl)-2-phenyl-1,2-dihydrobenzo[e][1,3]benzoxazole;8-(3-dibenzothiophen-4-ylphenyl)-2-phenylbenzo[e][1,3]benzoxazole;8-(4,6-diphenylpyrimidin-2-yl)-2-phenylbenzo[g][1,3]benzothiazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzothiazole;8-isoquinolin-1-yl-2-phenylbenzo[g][1,3]benzothiazole;2-phenyl-8-(4-phenylquinazolin-2-yl)benzo[g][1,3]benzothiazole;2-phenyl-8-quinolin-2-ylbenzo[g][1,3]benzothiazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4ccc5nc(-c6ccccc6)sc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc5nc(-c6ccccc6)sc5c4c3)n2)cc1.c1ccc(-c2nc3c(ccc4ccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)cc43)o2)cc1.c1ccc(-c2nc3ccc4ccc(-c5ccc6ccccc6n5)cc4c3s2)cc1.c1ccc(-c2nc3ccc4ccc(-c5cccc6c5oc5ccccc56)cc4c3s2)cc1.c1ccc(-c2nc3ccc4ccc(-c5nc(-c6ccccc6)c6ccccc6n5)cc4c3s2)cc1.c1ccc(-c2nc3ccc4ccc(-c5nccc6ccccc56)cc4c3s2)cc1.c1ccc(C2Nc3c(ccc4ccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)cc34)O2)cc1
• InChI: InChI=1S/C35H23NO2.C35H21NOS.C33H21N3S.C32H20N4S.C31H19N3S.C29H17NOS.2C26H16N2S/c1-2-8-23(9-3-1)35-36-33-30-21-25(17-16-22(30)18-19-32(33)38-35)24-10-6-11-26(20-24)27-13-7-14-29-28-12-4-5-15-31(28)37-34(27)29;1-2-8-23(9-3-1)35-36-33-30-21-25(17-16-22(30)18-19-31(33)37-35)24-10-6-11-26(20-24)27-13-7-14-29-28-12-4-5-15-32(28)38-34(27)29;1-4-10-23(11-5-1)29-21-30(24-12-6-2-7-13-24)35-32(34-29)26-17-16-22-18-19-28-31(27(22)20-26)37-33(36-28)25-14-8-3-9-15-25;1-4-10-22(11-5-1)29-34-30(23-12-6-2-7-13-23)36-31(35-29)25-17-16-21-18-19-27-28(26(21)20-25)37-32(33-27)24-14-8-3-9-15-24;1-3-9-21(10-4-1)28-24-13-7-8-14-26(24)32-30(34-28)23-16-15-20-17-18-27-29(25(20)19-23)35-31(33-27)22-11-5-2-6-12-22;1-2-7-19(8-3-1)29-30-25-16-15-18-13-14-20(17-24(18)28(25)32-29)21-10-6-11-23-22-9-4-5-12-26(22)31-27(21)23;1-2-7-19(8-3-1)26-28-24-15-12-17-10-11-20(16-21(17)25(24)29-26)23-14-13-18-6-4-5-9-22(18)27-23;1-2-7-19(8-3-1)26-28-23-13-12-18-10-11-20(16-22(18)25(23)29-26)24-21-9-5-4-6-17(21)14-15-27-24/h1-21,35-36H;1-21H;1-21H;1-20H;1-19H;1-17H;2*1-16H
• InChIKey: KYEKHTVIYQKKKP-UHFFFAOYSA-N
• XLogP: 68.88
• TPSA: 266.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 23
• Heavy Atoms: 275
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3647.52
LogP ≤ 5	68.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 8-dibenzofuran-4-yl-2-phenylbenzo[g][1,3]benzothiazole;8-(3-dibenzofuran-4-ylphenyl)-2-phenyl-1,2-dihydrobenzo[e][1,3]benzoxazole;8-(3-dibenzothiophen-4-ylphenyl)-2-phenylbenzo[e][1,3]benzoxazole;8-(4,6-diphenylpyrimidin-2-yl)-2-phenylbenzo[g][1,3]benzothiazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzothiazole;8-isoquinolin-1-yl-2-phenylbenzo[g][1,3]benzothiazole;2-phenyl-8-(4-phenylquinazolin-2-yl)benzo[g][1,3]benzothiazole;2-phenyl-8-quinolin-2-ylbenzo[g][1,3]benzothiazole?

The IUPAC name of 8-dibenzofuran-4-yl-2-phenylbenzo[g][1,3]benzothiazole;8-(3-dibenzofuran-4-ylphenyl)-2-phenyl-1,2-dihydrobenzo[e][1,3]benzoxazole;8-(3-dibenzothiophen-4-ylphenyl)-2-phenylbenzo[e][1,3]benzoxazole;8-(4,6-diphenylpyrimidin-2-yl)-2-phenylbenzo[g][1,3]benzothiazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzothiazole;8-isoquinolin-1-yl-2-phenylbenzo[g][1,3]benzothiazole;2-phenyl-8-(4-phenylquinazolin-2-yl)benzo[g][1,3]benzothiazole;2-phenyl-8-quinolin-2-ylbenzo[g][1,3]benzothiazole (CID 159274898) is 8-dibenzofuran-4-yl-2-phenylbenzo[g][1,3]benzothiazole;8-(3-dibenzofuran-4-ylphenyl)-2-phenyl-1,2-dihydrobenzo[e][1,3]benzoxazole;8-(3-dibenzothiophen-4-ylphenyl)-2-phenylbenzo[e][1,3]benzoxazole;8-(4,6-diphenylpyrimidin-2-yl)-2-phenylbenzo[g][1,3]benzothiazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzothiazole;8-isoquinolin-1-yl-2-phenylbenzo[g][1,3]benzothiazole;2-phenyl-8-(4-phenylquinazolin-2-yl)benzo[g][1,3]benzothiazole;2-phenyl-8-quinolin-2-ylbenzo[g][1,3]benzothiazole.

What is the SMILES notation for 8-dibenzofuran-4-yl-2-phenylbenzo[g][1,3]benzothiazole;8-(3-dibenzofuran-4-ylphenyl)-2-phenyl-1,2-dihydrobenzo[e][1,3]benzoxazole;8-(3-dibenzothiophen-4-ylphenyl)-2-phenylbenzo[e][1,3]benzoxazole;8-(4,6-diphenylpyrimidin-2-yl)-2-phenylbenzo[g][1,3]benzothiazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzothiazole;8-isoquinolin-1-yl-2-phenylbenzo[g][1,3]benzothiazole;2-phenyl-8-(4-phenylquinazolin-2-yl)benzo[g][1,3]benzothiazole;2-phenyl-8-quinolin-2-ylbenzo[g][1,3]benzothiazole?

The canonical SMILES for 8-dibenzofuran-4-yl-2-phenylbenzo[g][1,3]benzothiazole;8-(3-dibenzofuran-4-ylphenyl)-2-phenyl-1,2-dihydrobenzo[e][1,3]benzoxazole;8-(3-dibenzothiophen-4-ylphenyl)-2-phenylbenzo[e][1,3]benzoxazole;8-(4,6-diphenylpyrimidin-2-yl)-2-phenylbenzo[g][1,3]benzothiazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzothiazole;8-isoquinolin-1-yl-2-phenylbenzo[g][1,3]benzothiazole;2-phenyl-8-(4-phenylquinazolin-2-yl)benzo[g][1,3]benzothiazole;2-phenyl-8-quinolin-2-ylbenzo[g][1,3]benzothiazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4ccc5nc(-c6ccccc6)sc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc5nc(-c6ccccc6)sc5c4c3)n2)cc1.c1ccc(-c2nc3c(ccc4ccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)cc43)o2)cc1.c1ccc(-c2nc3ccc4ccc(-c5ccc6ccccc6n5)cc4c3s2)cc1.c1ccc(-c2nc3ccc4ccc(-c5cccc6c5oc5ccccc56)cc4c3s2)cc1.c1ccc(-c2nc3ccc4ccc(-c5nc(-c6ccccc6)c6ccccc6n5)cc4c3s2)cc1.c1ccc(-c2nc3ccc4ccc(-c5nccc6ccccc56)cc4c3s2)cc1.c1ccc(C2Nc3c(ccc4ccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)cc34)O2)cc1.

What is the InChIKey of 8-dibenzofuran-4-yl-2-phenylbenzo[g][1,3]benzothiazole;8-(3-dibenzofuran-4-ylphenyl)-2-phenyl-1,2-dihydrobenzo[e][1,3]benzoxazole;8-(3-dibenzothiophen-4-ylphenyl)-2-phenylbenzo[e][1,3]benzoxazole;8-(4,6-diphenylpyrimidin-2-yl)-2-phenylbenzo[g][1,3]benzothiazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzothiazole;8-isoquinolin-1-yl-2-phenylbenzo[g][1,3]benzothiazole;2-phenyl-8-(4-phenylquinazolin-2-yl)benzo[g][1,3]benzothiazole;2-phenyl-8-quinolin-2-ylbenzo[g][1,3]benzothiazole?

The InChIKey is KYEKHTVIYQKKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23NO2.C35H21NOS.C33H21N3S.C32H20N4S.C31H19N3S.C29H17NOS.2C26H16N2S/c1-2-8-23(9-3-1)35-36-33-30-21-25(17-16-22(30)18-19-32(33)38-35)24-10-6-11-26(20-24)27-13-7-14-29-28-12-4-5-15-31(28)37-34(27)29;1-2-8-23(9-3-1)35-36-33-30-21-25(17-16-22(30)18-19-31(33)37-35)24-10-6-11-26(20-24)27-13-7-14-29-28-12-4-5-15-32(28)38-34(27)29;1-4-10-23(11-5-1)29-21-30(24-12-6-2-7-13-24)35-32(34-29)26-17-16-22-18-19-28-31(27(22)20-26)37-33(36-28)25-14-8-3-9-15-25;1-4-10-22(11-5-1)29-34-30(23-12-6-2-7-13-23)36-31(35-29)25-17-16-21-18-19-27-28(26(21)20-25)37-32(33-27)24-14-8-3-9-15-24;1-3-9-21(10-4-1)28-24-13-7-8-14-26(24)32-30(34-28)23-16-15-20-17-18-27-29(25(20)19-23)35-31(33-27)22-11-5-2-6-12-22;1-2-7-19(8-3-1)29-30-25-16-15-18-13-14-20(17-24(18)28(25)32-29)21-10-6-11-23-22-9-4-5-12-26(22)31-27(21)23;1-2-7-19(8-3-1)26-28-24-15-12-17-10-11-20(16-21(17)25(24)29-26)23-14-13-18-6-4-5-9-22(18)27-23;1-2-7-19(8-3-1)26-28-23-13-12-18-10-11-20(16-22(18)25(23)29-26)24-21-9-5-4-6-17(21)14-15-27-24/h1-21,35-36H;1-21H;1-21H;1-20H;1-19H;1-17H;2*1-16H.

What are the key properties of 8-dibenzofuran-4-yl-2-phenylbenzo[g][1,3]benzothiazole;8-(3-dibenzofuran-4-ylphenyl)-2-phenyl-1,2-dihydrobenzo[e][1,3]benzoxazole;8-(3-dibenzothiophen-4-ylphenyl)-2-phenylbenzo[e][1,3]benzoxazole;8-(4,6-diphenylpyrimidin-2-yl)-2-phenylbenzo[g][1,3]benzothiazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzothiazole;8-isoquinolin-1-yl-2-phenylbenzo[g][1,3]benzothiazole;2-phenyl-8-(4-phenylquinazolin-2-yl)benzo[g][1,3]benzothiazole;2-phenyl-8-quinolin-2-ylbenzo[g][1,3]benzothiazole?

8-dibenzofuran-4-yl-2-phenylbenzo[g][1,3]benzothiazole;8-(3-dibenzofuran-4-ylphenyl)-2-phenyl-1,2-dihydrobenzo[e][1,3]benzoxazole;8-(3-dibenzothiophen-4-ylphenyl)-2-phenylbenzo[e][1,3]benzoxazole;8-(4,6-diphenylpyrimidin-2-yl)-2-phenylbenzo[g][1,3]benzothiazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzothiazole;8-isoquinolin-1-yl-2-phenylbenzo[g][1,3]benzothiazole;2-phenyl-8-(4-phenylquinazolin-2-yl)benzo[g][1,3]benzothiazole;2-phenyl-8-quinolin-2-ylbenzo[g][1,3]benzothiazole has a molecular weight of 3647.52 g/mol, XLogP of 68.88, 23 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 8-dibenzofuran-4-yl-2-phenylbenzo[g][1,3]benzothiazole;8-(3-dibenzofuran-4-ylphenyl)-2-phenyl-1,2-dihydrobenzo[e][1,3]benzoxazole;8-(3-dibenzothiophen-4-ylphenyl)-2-phenylbenzo[e][1,3]benzoxazole;8-(4,6-diphenylpyrimidin-2-yl)-2-phenylbenzo[g][1,3]benzothiazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzothiazole;8-isoquinolin-1-yl-2-phenylbenzo[g][1,3]benzothiazole;2-phenyl-8-(4-phenylquinazolin-2-yl)benzo[g][1,3]benzothiazole;2-phenyl-8-quinolin-2-ylbenzo[g][1,3]benzothiazole is sourced from PubChem (CID 159274898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).