N-[1-benzothiophen-2-yl-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]methylidene]benzenecarboximidamide;2-dibenzofuran-3-yl-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine

C196H120N20O4S4 — CID 158774248

IUPACN-[1-benzothiophen-2-yl-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]methylidene]benzenecarboximidamide;2-dibenzofuran-3-yl-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
SMILES[H]/N=C(/N=C(/c1cccc(-c2cccc3c2oc2cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc23)c1)c1cc2ccccc2s1)c1ccccc1.c1ccc(-c2nc(-c3ccccc3)c3sc4ccccc4c3n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3cc(-c5cccc(-c6nc(-c7ccccc7)nc7c6sc6ccccc67)c5)ccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3cccc(-c5cccc(-c6nc(-c7ccccc7)nc7c6sc6ccccc67)c5)c34)n2)cc1
InChIInChI=1S/2C49H29N5OS.C49H31N5OS.C27H17N3O.C22H14N2S/c1-4-15-30(16-5-1)46-50-42(45-43(51-46)36-23-10-11-28-40(36)56-45)34-22-12-21-33(29-34)35-24-14-27-39-41(35)37-25-13-26-38(44(37)55-39)49-53-47(31-17-6-2-7-18-31)52-48(54-49)32-19-8-3-9-20-32;1-4-14-30(15-5-1)46-50-42(45-43(51-46)38-22-10-11-25-41(38)56-45)35-21-12-20-33(28-35)34-26-27-36-37-23-13-24-39(44(37)55-40(36)29-34)49-53-47(31-16-6-2-7-17-31)52-48(54-49)32-18-8-3-9-19-32;50-46(31-14-4-1-5-15-31)51-44(43-30-35-20-10-11-25-42(35)56-43)36-22-12-21-34(28-36)38-23-13-24-40-39-27-26-37(29-41(39)55-45(38)40)49-53-47(32-16-6-2-7-17-32)52-48(54-49)33-18-8-3-9-19-33;1-3-9-18(10-4-1)25-28-26(19-11-5-2-6-12-19)30-27(29-25)20-15-16-22-21-13-7-8-14-23(21)31-24(22)17-20;1-3-9-15(10-4-1)19-21-20(17-13-7-8-14-18(17)25-21)24-22(23-19)16-11-5-2-6-12-16/h2*1-29H;1-30,50H;1-17H;1-14H/b;;50-46+,51-44-;;
InChIKeyIQGSQMZYOWPPER-HPSHDHKMSA-N
MW2947.52 g/mol
LogP51.33
Rot. Bonds24

About N-[1-benzothiophen-2-yl-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]methylidene]benzenecarboximidamide;2-dibenzofuran-3-yl-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine

N-[1-benzothiophen-2-yl-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]methylidene]benzenecarboximidamide;2-dibenzofuran-3-yl-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 158774248) has the molecular formula C196H120N20O4S4 and a molecular weight of 2947.52 g/mol. Its IUPAC name is N-[1-benzothiophen-2-yl-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]methylidene]benzenecarboximidamide;2-dibenzofuran-3-yl-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

Compound NameN-[1-benzothiophen-2-yl-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]methylidene]benzenecarboximidamide;2-dibenzofuran-3-yl-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
PubChem CID158774248
Molecular FormulaC196H120N20O4S4
Molecular Weight2947.52 g/mol
Exact Mass2944.87
IUPAC NameN-[1-benzothiophen-2-yl-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]methylidene]benzenecarboximidamide;2-dibenzofuran-3-yl-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
SMILES[H]/N=C(/N=C(/c1cccc(-c2cccc3c2oc2cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc23)c1)c1cc2ccccc2s1)c1ccccc1.c1ccc(-c2nc(-c3ccccc3)c3sc4ccccc4c3n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3cc(-c5cccc(-c6nc(-c7ccccc7)nc7c6sc6ccccc67)c5)ccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3cccc(-c5cccc(-c6nc(-c7ccccc7)nc7c6sc6ccccc67)c5)c34)n2)cc1
InChIInChI=1S/2C49H29N5OS.C49H31N5OS.C27H17N3O.C22H14N2S/c1-4-15-30(16-5-1)46-50-42(45-43(51-46)36-23-10-11-28-40(36)56-45)34-22-12-21-33(29-34)35-24-14-27-39-41(35)37-25-13-26-38(44(37)55-39)49-53-47(31-17-6-2-7-18-31)52-48(54-49)32-19-8-3-9-20-32;1-4-14-30(15-5-1)46-50-42(45-43(51-46)38-22-10-11-25-41(38)56-45)35-21-12-20-33(28-35)34-26-27-36-37-23-13-24-39(44(37)55-40(36)29-34)49-53-47(31-16-6-2-7-17-31)52-48(54-49)32-18-8-3-9-19-32;50-46(31-14-4-1-5-15-31)51-44(43-30-35-20-10-11-25-42(35)56-43)36-22-12-21-34(28-36)38-23-13-24-40-39-27-26-37(29-41(39)55-45(38)40)49-53-47(32-16-6-2-7-17-32)52-48(54-49)33-18-8-3-9-19-33;1-3-9-18(10-4-1)25-28-26(19-11-5-2-6-12-19)30-27(29-25)20-15-16-22-21-13-7-8-14-23(21)31-24(22)17-20;1-3-9-15(10-4-1)19-21-20(17-13-7-8-14-18(17)25-21)24-22(23-19)16-11-5-2-6-12-16/h2*1-29H;1-30,50H;1-17H;1-14H/b;;50-46+,51-44-;;
InChIKeyIQGSQMZYOWPPER-HPSHDHKMSA-N
XLogP51.33
TPSA320.79 Ų
H-Bond Donors1
H-Bond Acceptors27
Rotatable Bonds24
Heavy Atoms224
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002947.52
LogP ≤ 551.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[1-benzothiophen-2-yl-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]methylidene]benzenecarboximidamide;2-dibenzofuran-3-yl-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-benzothiophen-2-yl-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]methylidene]benzenecarboximidamide;2-dibenzofuran-3-yl-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine?
The IUPAC name of N-[1-benzothiophen-2-yl-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]methylidene]benzenecarboximidamide;2-dibenzofuran-3-yl-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine (CID 158774248) is N-[1-benzothiophen-2-yl-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]methylidene]benzenecarboximidamide;2-dibenzofuran-3-yl-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine.
What is the SMILES notation for N-[1-benzothiophen-2-yl-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]methylidene]benzenecarboximidamide;2-dibenzofuran-3-yl-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine?
The canonical SMILES for N-[1-benzothiophen-2-yl-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]methylidene]benzenecarboximidamide;2-dibenzofuran-3-yl-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine is [H]/N=C(/N=C(/c1cccc(-c2cccc3c2oc2cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc23)c1)c1cc2ccccc2s1)c1ccccc1.c1ccc(-c2nc(-c3ccccc3)c3sc4ccccc4c3n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3cc(-c5cccc(-c6nc(-c7ccccc7)nc7c6sc6ccccc67)c5)ccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3cccc(-c5cccc(-c6nc(-c7ccccc7)nc7c6sc6ccccc67)c5)c34)n2)cc1.
What is the InChIKey of N-[1-benzothiophen-2-yl-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]methylidene]benzenecarboximidamide;2-dibenzofuran-3-yl-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine?
The InChIKey is IQGSQMZYOWPPER-HPSHDHKMSA-N. The full InChI is InChI=1S/2C49H29N5OS.C49H31N5OS.C27H17N3O.C22H14N2S/c1-4-15-30(16-5-1)46-50-42(45-43(51-46)36-23-10-11-28-40(36)56-45)34-22-12-21-33(29-34)35-24-14-27-39-41(35)37-25-13-26-38(44(37)55-39)49-53-47(31-17-6-2-7-18-31)52-48(54-49)32-19-8-3-9-20-32;1-4-14-30(15-5-1)46-50-42(45-43(51-46)38-22-10-11-25-41(38)56-45)35-21-12-20-33(28-35)34-26-27-36-37-23-13-24-39(44(37)55-40(36)29-34)49-53-47(31-16-6-2-7-17-31)52-48(54-49)32-18-8-3-9-19-32;50-46(31-14-4-1-5-15-31)51-44(43-30-35-20-10-11-25-42(35)56-43)36-22-12-21-34(28-36)38-23-13-24-40-39-27-26-37(29-41(39)55-45(38)40)49-53-47(32-16-6-2-7-17-32)52-48(54-49)33-18-8-3-9-19-33;1-3-9-18(10-4-1)25-28-26(19-11-5-2-6-12-19)30-27(29-25)20-15-16-22-21-13-7-8-14-23(21)31-24(22)17-20;1-3-9-15(10-4-1)19-21-20(17-13-7-8-14-18(17)25-21)24-22(23-19)16-11-5-2-6-12-16/h2*1-29H;1-30,50H;1-17H;1-14H/b;;50-46+,51-44-;;.
What are the key properties of N-[1-benzothiophen-2-yl-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]methylidene]benzenecarboximidamide;2-dibenzofuran-3-yl-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine?
N-[1-benzothiophen-2-yl-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]methylidene]benzenecarboximidamide;2-dibenzofuran-3-yl-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 2947.52 g/mol, XLogP of 51.33, 24 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzothiophen-2-yl-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]methylidene]benzenecarboximidamide;2-dibenzofuran-3-yl-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 158774248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).