5-[4-[4-(2-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[3-[2-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]isoquinoline

C196H114N16O4S4 — CID 163608535

IUPAC5-[4-[4-(2-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[3-[2-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]isoquinoline
SMILESc1ccc(-c2nc(-c3ccc(-c4nc5oc6ccccc6c5c5ccccc45)cc3)nc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4nc5oc6ccccc6c5c5ccccc45)cc3)nc(-c3ccccc3-c3ccc4c(c3)sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc4c(-c5ccc(-c6nc7oc8ccccc8c7c7ccccc67)cc5)cccc34)nc(-c3cccc4c3sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3-c3cccc(-c4nc5oc6ccccc6c5c5ccccc45)c3)nc(-c3cccc4c3sc3ccccc34)n2)cc1
InChIInChI=1S/C52H30N4OS.3C48H28N4OS/c1-2-13-33(14-3-1)49-54-50(56-51(55-49)43-24-12-22-40-37-15-7-9-26-45(37)58-48(40)43)41-23-11-20-35-34(19-10-21-36(35)41)31-27-29-32(30-28-31)47-39-17-5-4-16-38(39)46-42-18-6-8-25-44(42)57-52(46)53-47;1-2-14-29(15-3-1)45-50-46(52-47(51-45)39-25-13-24-36-33-19-9-11-27-41(33)54-44(36)39)37-22-7-4-18-32(37)30-16-12-17-31(28-30)43-35-21-6-5-20-34(35)42-38-23-8-10-26-40(38)53-48(42)49-43;1-2-12-30(13-3-1)45-50-46(52-47(51-45)38-18-7-4-14-33(38)32-26-27-35-34-15-9-11-21-41(34)54-42(35)28-32)31-24-22-29(23-25-31)44-37-17-6-5-16-36(37)43-39-19-8-10-20-40(39)53-48(43)49-44;1-2-12-30(13-3-1)45-50-46(52-47(51-45)33-15-10-14-32(28-33)34-20-11-21-38-35-16-7-9-23-41(35)54-44(34)38)31-26-24-29(25-27-31)43-37-18-5-4-17-36(37)42-39-19-6-8-22-40(39)53-48(42)49-43/h1-30H;3*1-28H
InChIKeyHDXMDBUGNQFNGY-UHFFFAOYSA-N
MW2885.44 g/mol
LogP53.24
Rot. Bonds20

About 5-[4-[4-(2-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[3-[2-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]isoquinoline

5-[4-[4-(2-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[3-[2-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]isoquinoline (PubChem CID 163608535) has the molecular formula C196H114N16O4S4 and a molecular weight of 2885.44 g/mol. Its IUPAC name is 5-[4-[4-(2-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[3-[2-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]isoquinoline.

Molecular Properties

Compound Name5-[4-[4-(2-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[3-[2-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]isoquinoline
PubChem CID163608535
Molecular FormulaC196H114N16O4S4
Molecular Weight2885.44 g/mol
Exact Mass2882.81
IUPAC Name5-[4-[4-(2-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[3-[2-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]isoquinoline
SMILESc1ccc(-c2nc(-c3ccc(-c4nc5oc6ccccc6c5c5ccccc45)cc3)nc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4nc5oc6ccccc6c5c5ccccc45)cc3)nc(-c3ccccc3-c3ccc4c(c3)sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc4c(-c5ccc(-c6nc7oc8ccccc8c7c7ccccc67)cc5)cccc34)nc(-c3cccc4c3sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3-c3cccc(-c4nc5oc6ccccc6c5c5ccccc45)c3)nc(-c3cccc4c3sc3ccccc34)n2)cc1
InChIInChI=1S/C52H30N4OS.3C48H28N4OS/c1-2-13-33(14-3-1)49-54-50(56-51(55-49)43-24-12-22-40-37-15-7-9-26-45(37)58-48(40)43)41-23-11-20-35-34(19-10-21-36(35)41)31-27-29-32(30-28-31)47-39-17-5-4-16-38(39)46-42-18-6-8-25-44(42)57-52(46)53-47;1-2-14-29(15-3-1)45-50-46(52-47(51-45)39-25-13-24-36-33-19-9-11-27-41(33)54-44(36)39)37-22-7-4-18-32(37)30-16-12-17-31(28-30)43-35-21-6-5-20-34(35)42-38-23-8-10-26-40(38)53-48(42)49-43;1-2-12-30(13-3-1)45-50-46(52-47(51-45)38-18-7-4-14-33(38)32-26-27-35-34-15-9-11-21-41(34)54-42(35)28-32)31-24-22-29(23-25-31)44-37-17-6-5-16-36(37)43-39-19-8-10-20-40(39)53-48(43)49-44;1-2-12-30(13-3-1)45-50-46(52-47(51-45)33-15-10-14-32(28-33)34-20-11-21-38-35-16-7-9-23-41(35)54-44(34)38)31-26-24-29(25-27-31)43-37-18-5-4-17-36(37)42-39-19-6-8-22-40(39)53-48(42)49-43/h1-30H;3*1-28H
InChIKeyHDXMDBUGNQFNGY-UHFFFAOYSA-N
XLogP53.24
TPSA258.80 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms220
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002885.44
LogP ≤ 553.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 5-[4-[4-(2-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[3-[2-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(2-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[3-[2-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]isoquinoline?
The IUPAC name of 5-[4-[4-(2-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[3-[2-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]isoquinoline (CID 163608535) is 5-[4-[4-(2-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[3-[2-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]isoquinoline.
What is the SMILES notation for 5-[4-[4-(2-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[3-[2-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]isoquinoline?
The canonical SMILES for 5-[4-[4-(2-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[3-[2-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]isoquinoline is c1ccc(-c2nc(-c3ccc(-c4nc5oc6ccccc6c5c5ccccc45)cc3)nc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4nc5oc6ccccc6c5c5ccccc45)cc3)nc(-c3ccccc3-c3ccc4c(c3)sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc4c(-c5ccc(-c6nc7oc8ccccc8c7c7ccccc67)cc5)cccc34)nc(-c3cccc4c3sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3-c3cccc(-c4nc5oc6ccccc6c5c5ccccc45)c3)nc(-c3cccc4c3sc3ccccc34)n2)cc1.
What is the InChIKey of 5-[4-[4-(2-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[3-[2-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]isoquinoline?
The InChIKey is HDXMDBUGNQFNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N4OS.3C48H28N4OS/c1-2-13-33(14-3-1)49-54-50(56-51(55-49)43-24-12-22-40-37-15-7-9-26-45(37)58-48(40)43)41-23-11-20-35-34(19-10-21-36(35)41)31-27-29-32(30-28-31)47-39-17-5-4-16-38(39)46-42-18-6-8-25-44(42)57-52(46)53-47;1-2-14-29(15-3-1)45-50-46(52-47(51-45)39-25-13-24-36-33-19-9-11-27-41(33)54-44(36)39)37-22-7-4-18-32(37)30-16-12-17-31(28-30)43-35-21-6-5-20-34(35)42-38-23-8-10-26-40(38)53-48(42)49-43;1-2-12-30(13-3-1)45-50-46(52-47(51-45)38-18-7-4-14-33(38)32-26-27-35-34-15-9-11-21-41(34)54-42(35)28-32)31-24-22-29(23-25-31)44-37-17-6-5-16-36(37)43-39-19-8-10-20-40(39)53-48(43)49-44;1-2-12-30(13-3-1)45-50-46(52-47(51-45)33-15-10-14-32(28-33)34-20-11-21-38-35-16-7-9-23-41(35)54-44(34)38)31-26-24-29(25-27-31)43-37-18-5-4-17-36(37)42-39-19-6-8-22-40(39)53-48(42)49-43/h1-30H;3*1-28H.
What are the key properties of 5-[4-[4-(2-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[3-[2-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]isoquinoline?
5-[4-[4-(2-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[3-[2-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]isoquinoline has a molecular weight of 2885.44 g/mol, XLogP of 53.24, 20 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(2-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[3-[2-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]isoquinoline is sourced from PubChem (CID 163608535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).