2-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine

C192H111N19O4S4 — CID 157442670

IUPAC2-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine
SMILESc1ccc(-c2cc(-c3cccc4oc5c(-c6nc(-c7ccccc7)c7sc8ccccc8c7n6)cccc5c34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4oc5c(-c6nc(-c7ccccc7)c7sc8ccccc8c7n6)cccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-c3cccc4oc5c(-c6nc(-c7ccccc7)c7sc8ccccc8c7n6)cccc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc4oc5c(-c6nc(-c7ccccc7)c7sc8ccccc8c7n6)cccc5c34)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C55H31N5OS.C49H28N6OS.2C44H26N4OS/c1-3-15-32(16-4-1)48-51-49(40-23-11-12-28-46(40)62-51)57-55(56-48)43-26-13-24-41-47-42(25-14-27-45(47)61-50(41)43)54-59-52(33-17-5-2-6-18-33)58-53(60-54)34-29-30-39-37-21-8-7-19-35(37)36-20-9-10-22-38(36)44(39)31-34;1-3-15-29(16-4-1)42-45-43(33-21-9-12-28-40(33)57-45)51-48(50-42)36-24-13-22-34-41-35(23-14-27-39(41)56-44(34)36)47-52-46(30-17-5-2-6-18-30)53-49(54-47)55-37-25-10-7-19-31(37)32-20-8-11-26-38(32)55;1-4-14-27(15-5-1)34-26-35(46-43(45-34)29-18-8-3-9-19-29)30-21-13-24-36-38(30)32-22-12-23-33(41(32)49-36)44-47-39(28-16-6-2-7-17-28)42-40(48-44)31-20-10-11-25-37(31)50-42;1-4-14-27(15-5-1)34-26-35(28-16-6-2-7-17-28)46-43(45-34)32-22-13-24-36-38(32)31-21-12-23-33(41(31)49-36)44-47-39(29-18-8-3-9-19-29)42-40(48-44)30-20-10-11-25-37(30)50-42/h1-31H;1-28H;2*1-26H
InChIKeyBRVTVLHASXGJDK-UHFFFAOYSA-N
MW2876.40 g/mol
LogP51.16
Rot. Bonds20

About 2-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine

2-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 157442670) has the molecular formula C192H111N19O4S4 and a molecular weight of 2876.40 g/mol. Its IUPAC name is 2-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine
PubChem CID157442670
Molecular FormulaC192H111N19O4S4
Molecular Weight2876.40 g/mol
Exact Mass2873.79
IUPAC Name2-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine
SMILESc1ccc(-c2cc(-c3cccc4oc5c(-c6nc(-c7ccccc7)c7sc8ccccc8c7n6)cccc5c34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4oc5c(-c6nc(-c7ccccc7)c7sc8ccccc8c7n6)cccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-c3cccc4oc5c(-c6nc(-c7ccccc7)c7sc8ccccc8c7n6)cccc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc4oc5c(-c6nc(-c7ccccc7)c7sc8ccccc8c7n6)cccc5c34)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C55H31N5OS.C49H28N6OS.2C44H26N4OS/c1-3-15-32(16-4-1)48-51-49(40-23-11-12-28-46(40)62-51)57-55(56-48)43-26-13-24-41-47-42(25-14-27-45(47)61-50(41)43)54-59-52(33-17-5-2-6-18-33)58-53(60-54)34-29-30-39-37-21-8-7-19-35(37)36-20-9-10-22-38(36)44(39)31-34;1-3-15-29(16-4-1)42-45-43(33-21-9-12-28-40(33)57-45)51-48(50-42)36-24-13-22-34-41-35(23-14-27-39(41)56-44(34)36)47-52-46(30-17-5-2-6-18-30)53-49(54-47)55-37-25-10-7-19-31(37)32-20-8-11-26-38(32)55;1-4-14-27(15-5-1)34-26-35(46-43(45-34)29-18-8-3-9-19-29)30-21-13-24-36-38(30)32-22-12-23-33(41(32)49-36)44-47-39(28-16-6-2-7-17-28)42-40(48-44)31-20-10-11-25-37(31)50-42;1-4-14-27(15-5-1)34-26-35(28-16-6-2-7-17-28)46-43(45-34)32-22-13-24-36-38(32)31-21-12-23-33(41(31)49-36)44-47-39(29-18-8-3-9-19-29)42-40(48-44)30-20-10-11-25-37(30)50-42/h1-31H;1-28H;2*1-26H
InChIKeyBRVTVLHASXGJDK-UHFFFAOYSA-N
XLogP51.16
TPSA289.51 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds20
Heavy Atoms219
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002876.40
LogP ≤ 551.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine?
The IUPAC name of 2-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine (CID 157442670) is 2-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine?
The canonical SMILES for 2-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine is c1ccc(-c2cc(-c3cccc4oc5c(-c6nc(-c7ccccc7)c7sc8ccccc8c7n6)cccc5c34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4oc5c(-c6nc(-c7ccccc7)c7sc8ccccc8c7n6)cccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-c3cccc4oc5c(-c6nc(-c7ccccc7)c7sc8ccccc8c7n6)cccc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc4oc5c(-c6nc(-c7ccccc7)c7sc8ccccc8c7n6)cccc5c34)nc(-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 2-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine?
The InChIKey is BRVTVLHASXGJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H31N5OS.C49H28N6OS.2C44H26N4OS/c1-3-15-32(16-4-1)48-51-49(40-23-11-12-28-46(40)62-51)57-55(56-48)43-26-13-24-41-47-42(25-14-27-45(47)61-50(41)43)54-59-52(33-17-5-2-6-18-33)58-53(60-54)34-29-30-39-37-21-8-7-19-35(37)36-20-9-10-22-38(36)44(39)31-34;1-3-15-29(16-4-1)42-45-43(33-21-9-12-28-40(33)57-45)51-48(50-42)36-24-13-22-34-41-35(23-14-27-39(41)56-44(34)36)47-52-46(30-17-5-2-6-18-30)53-49(54-47)55-37-25-10-7-19-31(37)32-20-8-11-26-38(32)55;1-4-14-27(15-5-1)34-26-35(46-43(45-34)29-18-8-3-9-19-29)30-21-13-24-36-38(30)32-22-12-23-33(41(32)49-36)44-47-39(28-16-6-2-7-17-28)42-40(48-44)31-20-10-11-25-37(31)50-42;1-4-14-27(15-5-1)34-26-35(28-16-6-2-7-17-28)46-43(45-34)32-22-13-24-36-38(32)31-21-12-23-33(41(31)49-36)44-47-39(29-18-8-3-9-19-29)42-40(48-44)30-20-10-11-25-37(30)50-42/h1-31H;1-28H;2*1-26H.
What are the key properties of 2-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine?
2-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 2876.40 g/mol, XLogP of 51.16, 20 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 157442670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).