2-[9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine

C214H123N23O8S — CID 160819302

IUPAC2-[9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-c3cccc4oc5cc(-c6nc(-c7ccccc7)c7oc8ccccc8c7n6)ccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)nc(-c3cccc4oc5cc(-c6nc(-c7ccccc7)c7oc8ccccc8c7n6)ccc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc4oc5cc(-c6nc(-c7ccccc7)c7oc8ccccc8c7n6)ccc5c34)nc(-c3cccc4c3c3ccccc3n4-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3cccc4oc5cc(-c6nc(-c7ccccc7)c7oc8ccccc8c7n6)ccc5c34)nc(-c3cccc4sc5ccccc5c34)n2)cc1
InChIInChI=1S/3C55H32N6O2.C49H27N5O2S/c1-4-16-33(17-5-1)49-51-50(39-23-11-13-28-44(39)63-51)57-53(56-49)35-30-31-38-46(32-35)62-45-29-15-25-41(48(38)45)55-59-52(34-18-6-2-7-19-34)58-54(60-55)40-24-14-27-43-47(40)37-22-10-12-26-42(37)61(43)36-20-8-3-9-21-36;1-4-15-33(16-5-1)49-51-50(40-22-11-13-25-45(40)63-51)57-53(56-49)36-27-29-39-47(32-36)62-46-26-14-23-41(48(39)46)55-59-52(34-17-6-2-7-18-34)58-54(60-55)35-28-30-44-42(31-35)38-21-10-12-24-43(38)61(44)37-19-8-3-9-20-37;1-4-15-33(16-5-1)49-51-50(41-22-11-13-25-45(41)63-51)57-53(56-49)36-28-30-40-47(32-36)62-46-26-14-23-42(48(40)46)55-59-52(34-17-6-2-7-18-34)58-54(60-55)35-27-29-39-38-21-10-12-24-43(38)61(44(39)31-35)37-19-8-3-9-20-37;1-3-13-28(14-4-1)43-45-44(32-17-7-9-21-36(32)56-45)51-47(50-43)30-25-26-31-38(27-30)55-37-22-11-19-34(41(31)37)48-52-46(29-15-5-2-6-16-29)53-49(54-48)35-20-12-24-40-42(35)33-18-8-10-23-39(33)57-40/h3*1-32H;1-27H
InChIKeySFIAXUVKBSSNBW-UHFFFAOYSA-N
MW3176.56 g/mol
LogP54.84
Rot. Bonds23

About 2-[9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine

2-[9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 160819302) has the molecular formula C214H123N23O8S and a molecular weight of 3176.56 g/mol. Its IUPAC name is 2-[9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-[9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID160819302
Molecular FormulaC214H123N23O8S
Molecular Weight3176.56 g/mol
Exact Mass3173.96
IUPAC Name2-[9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-c3cccc4oc5cc(-c6nc(-c7ccccc7)c7oc8ccccc8c7n6)ccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)nc(-c3cccc4oc5cc(-c6nc(-c7ccccc7)c7oc8ccccc8c7n6)ccc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc4oc5cc(-c6nc(-c7ccccc7)c7oc8ccccc8c7n6)ccc5c34)nc(-c3cccc4c3c3ccccc3n4-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3cccc4oc5cc(-c6nc(-c7ccccc7)c7oc8ccccc8c7n6)ccc5c34)nc(-c3cccc4sc5ccccc5c34)n2)cc1
InChIInChI=1S/3C55H32N6O2.C49H27N5O2S/c1-4-16-33(17-5-1)49-51-50(39-23-11-13-28-44(39)63-51)57-53(56-49)35-30-31-38-46(32-35)62-45-29-15-25-41(48(38)45)55-59-52(34-18-6-2-7-19-34)58-54(60-55)40-24-14-27-43-47(40)37-22-10-12-26-42(37)61(43)36-20-8-3-9-21-36;1-4-15-33(16-5-1)49-51-50(40-22-11-13-25-45(40)63-51)57-53(56-49)36-27-29-39-47(32-36)62-46-26-14-23-41(48(39)46)55-59-52(34-17-6-2-7-18-34)58-54(60-55)35-28-30-44-42(31-35)38-21-10-12-24-43(38)61(44)37-19-8-3-9-20-37;1-4-15-33(16-5-1)49-51-50(41-22-11-13-25-45(41)63-51)57-53(56-49)36-28-30-40-47(32-36)62-46-26-14-23-42(48(40)46)55-59-52(34-17-6-2-7-18-34)58-54(60-55)35-27-29-39-38-21-10-12-24-43(38)61(44(39)31-35)37-19-8-3-9-20-37;1-3-13-28(14-4-1)43-45-44(32-17-7-9-21-36(32)56-45)51-47(50-43)30-25-26-31-38(27-30)55-37-22-11-19-34(41(31)37)48-52-46(29-15-5-2-6-16-29)53-49(54-48)35-20-12-24-40-42(35)33-18-8-10-23-39(33)57-40/h3*1-32H;1-27H
InChIKeySFIAXUVKBSSNBW-UHFFFAOYSA-N
XLogP54.84
TPSA377.71 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds23
Heavy Atoms246
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003176.56
LogP ≤ 554.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze 2-[9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2-[9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine (CID 160819302) is 2-[9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-[9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2-[9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-c3cccc4oc5cc(-c6nc(-c7ccccc7)c7oc8ccccc8c7n6)ccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)nc(-c3cccc4oc5cc(-c6nc(-c7ccccc7)c7oc8ccccc8c7n6)ccc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc4oc5cc(-c6nc(-c7ccccc7)c7oc8ccccc8c7n6)ccc5c34)nc(-c3cccc4c3c3ccccc3n4-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3cccc4oc5cc(-c6nc(-c7ccccc7)c7oc8ccccc8c7n6)ccc5c34)nc(-c3cccc4sc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-[9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is SFIAXUVKBSSNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C55H32N6O2.C49H27N5O2S/c1-4-16-33(17-5-1)49-51-50(39-23-11-13-28-44(39)63-51)57-53(56-49)35-30-31-38-46(32-35)62-45-29-15-25-41(48(38)45)55-59-52(34-18-6-2-7-19-34)58-54(60-55)40-24-14-27-43-47(40)37-22-10-12-26-42(37)61(43)36-20-8-3-9-21-36;1-4-15-33(16-5-1)49-51-50(40-22-11-13-25-45(40)63-51)57-53(56-49)36-27-29-39-47(32-36)62-46-26-14-23-41(48(39)46)55-59-52(34-17-6-2-7-18-34)58-54(60-55)35-28-30-44-42(31-35)38-21-10-12-24-43(38)61(44)37-19-8-3-9-20-37;1-4-15-33(16-5-1)49-51-50(41-22-11-13-25-45(41)63-51)57-53(56-49)36-28-30-40-47(32-36)62-46-26-14-23-42(48(40)46)55-59-52(34-17-6-2-7-18-34)58-54(60-55)35-27-29-39-38-21-10-12-24-43(38)61(44(39)31-35)37-19-8-3-9-20-37;1-3-13-28(14-4-1)43-45-44(32-17-7-9-21-36(32)56-45)51-47(50-43)30-25-26-31-38(27-30)55-37-22-11-19-34(41(31)37)48-52-46(29-15-5-2-6-16-29)53-49(54-48)35-20-12-24-40-42(35)33-18-8-10-23-39(33)57-40/h3*1-32H;1-27H.
What are the key properties of 2-[9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine?
2-[9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 3176.56 g/mol, XLogP of 54.84, 23 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 160819302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).