6-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline;6-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]pyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]pyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyrazolo[5,1-a]isoquinoline;2-[4-(1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-yl)phenyl]-2,7a-dihydro-1,3-benzothiazole

C342H222N20O2S3 — CID 159757824

About 6-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline;6-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]pyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]pyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyrazolo[5,1-a]isoquinoline;2-[4-(1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-yl)phenyl]-2,7a-dihydro-1,3-benzothiazole

6-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline;6-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]pyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]pyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyrazolo[5,1-a]isoquinoline;2-[4-(1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-yl)phenyl]-2,7a-dihydro-1,3-benzothiazole (PubChem CID 159757824) has the molecular formula C342H222N20O2S3 and a molecular weight of 4739.88 g/mol. Its IUPAC name is 6-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline;6-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]pyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]pyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyrazolo[5,1-a]isoquinoline;2-[4-(1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-yl)phenyl]-2,7a-dihydro-1,3-benzothiazole.

Molecular Properties

• Compound Name: 6-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline;6-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]pyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]pyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyrazolo[5,1-a]isoquinoline;2-[4-(1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-yl)phenyl]-2,7a-dihydro-1,3-benzothiazole
• PubChem CID: 159757824
• Molecular Formula: C342H222N20O2S3
• Molecular Weight: 4739.88 g/mol
• Exact Mass: 4735.70
• IUPAC Name: 6-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline;6-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]pyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]pyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyrazolo[5,1-a]isoquinoline;2-[4-(1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-yl)phenyl]-2,7a-dihydro-1,3-benzothiazole
• SMILES: C1=CC2=NC(c3ccc(-c4c(-c5ccccc5)n5nc(-c6ccccc6)c(-c6ccccc6)c5c5ccccc45)cc3)SC2C=C1.c1ccc(-c2ccc(-c3ccc(-c4cc(-c5ccc(-c6c(-c7ccccc7)n7ncc(-c8ccccc8)c7c7ccccc67)cc5)nc(-c5ccccc5)n4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccc(-c6c(-c7ccccc7)n7ncc(-c8ccccc8)c7c7ccccc67)cc5)n4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6c(-c7ccccc7)n7ncc(-c8ccccc8)c7c7ccccc67)cc5)n4)cc3)cc2)cc1.c1ccc(-c2nn3c(-c4ccccc4)c(-c4ccc(-c5cc(-c6cccc7c6oc6ccccc67)cc(-c6cccc7c6oc6ccccc67)c5)cc4)c4ccccc4c3c2-c2ccccc2)cc1.c1ccc(-c2nn3c(-c4ccccc4)c(-c4ccc(-c5cc(-c6cccc7c6sc6ccccc67)cc(-c6cccc7c6sc6ccccc67)c5)cc4)c4ccccc4c3c2-c2ccccc2)cc1
• InChI: InChI=1S/C65H40N2O2.C65H40N2S2.2C57H38N4.C56H37N5.C42H29N3S/c2*1-4-18-42(19-5-1)60-61(44-20-6-2-7-21-44)66-67-62(45-22-8-3-9-23-45)59(53-26-10-11-27-54(53)63(60)67)43-36-34-41(35-37-43)46-38-47(49-28-16-30-55-51-24-12-14-32-57(51)68-64(49)55)40-48(39-46)50-29-17-31-56-52-25-13-15-33-58(52)69-65(50)56;1-5-15-39(16-6-1)40-25-27-41(28-26-40)42-29-31-44(32-30-42)52-37-53(60-57(59-52)48-21-11-4-12-22-48)45-33-35-46(36-34-45)54-49-23-13-14-24-50(49)56-51(43-17-7-2-8-18-43)38-58-61(56)55(54)47-19-9-3-10-20-47;1-5-15-39(16-6-1)40-25-27-41(28-26-40)42-29-31-45(32-30-42)53-37-52(44-19-9-3-10-20-44)59-57(60-53)48-35-33-46(34-36-48)54-49-23-13-14-24-50(49)56-51(43-17-7-2-8-18-43)38-58-61(56)55(54)47-21-11-4-12-22-47;1-5-15-38(16-6-1)39-25-27-40(28-26-39)41-29-33-46(34-30-41)55-58-54(45-21-11-4-12-22-45)59-56(60-55)47-35-31-43(32-36-47)51-48-23-13-14-24-49(48)53-50(42-17-7-2-8-18-42)37-57-61(53)52(51)44-19-9-3-10-20-44;1-4-14-28(15-5-1)38-39(30-16-6-2-7-17-30)44-45-40(31-18-8-3-9-19-31)37(33-20-10-11-21-34(33)41(38)45)29-24-26-32(27-25-29)42-43-35-22-12-13-23-36(35)46-42/h2*1-40H;2*1-38H;1-37H;1-27,36,42H
• InChIKey: NEMKVTQAZOHPLU-UHFFFAOYSA-N
• XLogP: 90.92
• TPSA: 232.67 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 43
• Heavy Atoms: 367
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4739.88
LogP ≤ 5	90.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline;6-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]pyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]pyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyrazolo[5,1-a]isoquinoline;2-[4-(1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-yl)phenyl]-2,7a-dihydro-1,3-benzothiazole?

The IUPAC name of 6-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline;6-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]pyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]pyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyrazolo[5,1-a]isoquinoline;2-[4-(1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-yl)phenyl]-2,7a-dihydro-1,3-benzothiazole (CID 159757824) is 6-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline;6-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]pyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]pyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyrazolo[5,1-a]isoquinoline;2-[4-(1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-yl)phenyl]-2,7a-dihydro-1,3-benzothiazole.

What is the SMILES notation for 6-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline;6-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]pyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]pyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyrazolo[5,1-a]isoquinoline;2-[4-(1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-yl)phenyl]-2,7a-dihydro-1,3-benzothiazole?

The canonical SMILES for 6-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline;6-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]pyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]pyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyrazolo[5,1-a]isoquinoline;2-[4-(1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-yl)phenyl]-2,7a-dihydro-1,3-benzothiazole is C1=CC2=NC(c3ccc(-c4c(-c5ccccc5)n5nc(-c6ccccc6)c(-c6ccccc6)c5c5ccccc45)cc3)SC2C=C1.c1ccc(-c2ccc(-c3ccc(-c4cc(-c5ccc(-c6c(-c7ccccc7)n7ncc(-c8ccccc8)c7c7ccccc67)cc5)nc(-c5ccccc5)n4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccc(-c6c(-c7ccccc7)n7ncc(-c8ccccc8)c7c7ccccc67)cc5)n4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6c(-c7ccccc7)n7ncc(-c8ccccc8)c7c7ccccc67)cc5)n4)cc3)cc2)cc1.c1ccc(-c2nn3c(-c4ccccc4)c(-c4ccc(-c5cc(-c6cccc7c6oc6ccccc67)cc(-c6cccc7c6oc6ccccc67)c5)cc4)c4ccccc4c3c2-c2ccccc2)cc1.c1ccc(-c2nn3c(-c4ccccc4)c(-c4ccc(-c5cc(-c6cccc7c6sc6ccccc67)cc(-c6cccc7c6sc6ccccc67)c5)cc4)c4ccccc4c3c2-c2ccccc2)cc1.

What is the InChIKey of 6-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline;6-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]pyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]pyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyrazolo[5,1-a]isoquinoline;2-[4-(1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-yl)phenyl]-2,7a-dihydro-1,3-benzothiazole?

The InChIKey is NEMKVTQAZOHPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H40N2O2.C65H40N2S2.2C57H38N4.C56H37N5.C42H29N3S/c2*1-4-18-42(19-5-1)60-61(44-20-6-2-7-21-44)66-67-62(45-22-8-3-9-23-45)59(53-26-10-11-27-54(53)63(60)67)43-36-34-41(35-37-43)46-38-47(49-28-16-30-55-51-24-12-14-32-57(51)68-64(49)55)40-48(39-46)50-29-17-31-56-52-25-13-15-33-58(52)69-65(50)56;1-5-15-39(16-6-1)40-25-27-41(28-26-40)42-29-31-44(32-30-42)52-37-53(60-57(59-52)48-21-11-4-12-22-48)45-33-35-46(36-34-45)54-49-23-13-14-24-50(49)56-51(43-17-7-2-8-18-43)38-58-61(56)55(54)47-19-9-3-10-20-47;1-5-15-39(16-6-1)40-25-27-41(28-26-40)42-29-31-45(32-30-42)53-37-52(44-19-9-3-10-20-44)59-57(60-53)48-35-33-46(34-36-48)54-49-23-13-14-24-50(49)56-51(43-17-7-2-8-18-43)38-58-61(56)55(54)47-21-11-4-12-22-47;1-5-15-38(16-6-1)39-25-27-40(28-26-39)41-29-33-46(34-30-41)55-58-54(45-21-11-4-12-22-45)59-56(60-55)47-35-31-43(32-36-47)51-48-23-13-14-24-49(48)53-50(42-17-7-2-8-18-42)37-57-61(53)52(51)44-19-9-3-10-20-44;1-4-14-28(15-5-1)38-39(30-16-6-2-7-17-30)44-45-40(31-18-8-3-9-19-31)37(33-20-10-11-21-34(33)41(38)45)29-24-26-32(27-25-29)42-43-35-22-12-13-23-36(35)46-42/h2*1-40H;2*1-38H;1-37H;1-27,36,42H.

What are the key properties of 6-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline;6-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]pyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]pyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyrazolo[5,1-a]isoquinoline;2-[4-(1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-yl)phenyl]-2,7a-dihydro-1,3-benzothiazole?

6-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline;6-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]pyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]pyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyrazolo[5,1-a]isoquinoline;2-[4-(1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-yl)phenyl]-2,7a-dihydro-1,3-benzothiazole has a molecular weight of 4739.88 g/mol, XLogP of 90.92, 43 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline;6-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]pyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]pyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyrazolo[5,1-a]isoquinoline;2-[4-(1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-yl)phenyl]-2,7a-dihydro-1,3-benzothiazole is sourced from PubChem (CID 159757824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).