2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-(1,6,8-triphenyldibenzofuran-4-yl)-1,3,5-triazine;2-[1-(3-dibenzothiophen-4-ylphenyl)-6,8-diphenyldibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[1-[3-(4-isocyanophenyl)phenyl]-6,8-diphenyldibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine

C166H102N10O4S — CID 160711279

IUPAC2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-(1,6,8-triphenyldibenzofuran-4-yl)-1,3,5-triazine;2-[1-(3-dibenzothiophen-4-ylphenyl)-6,8-diphenyldibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[1-[3-(4-isocyanophenyl)phenyl]-6,8-diphenyldibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
SMILES[C-]#[N+]c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4oc5c(-c6ccccc6)cc(-c6ccccc6)cc5c34)c2)cc1.c1ccc(-c2cc(-c3ccccc3)c3oc4c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)c4c3c2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc5c4oc4ccccc45)nc(-c4ccc(-c5ccccc5)c5c4oc4c(-c6ccccc6)cc(-c6ccccc6)cc45)n3)cc2)cc1
InChIInChI=1S/C57H35N3O2.C57H35N3OS.C52H32N4O/c1-5-16-36(17-6-1)38-28-30-41(31-29-38)55-58-56(46-26-15-25-45-44-24-13-14-27-50(44)61-52(45)46)60-57(59-55)47-33-32-43(39-20-9-3-10-21-39)51-49-35-42(37-18-7-2-8-19-37)34-48(53(49)62-54(47)51)40-22-11-4-12-23-40;1-5-17-36(18-6-1)42-34-48(37-19-7-2-8-20-37)52-49(35-42)51-43(40-25-15-26-41(33-40)44-28-16-29-46-45-27-13-14-30-50(45)62-54(44)46)31-32-47(53(51)61-52)57-59-55(38-21-9-3-10-22-38)58-56(60-57)39-23-11-4-12-24-39;1-53-42-27-25-35(26-28-42)39-23-14-24-40(31-39)43-29-30-44(52-55-50(37-19-10-4-11-20-37)54-51(56-52)38-21-12-5-13-22-38)49-47(43)46-33-41(34-15-6-2-7-16-34)32-45(48(46)57-49)36-17-8-3-9-18-36/h2*1-35H;2-33H
InChIKeyRRWVUSJJWBBPFE-UHFFFAOYSA-N
MW2332.77 g/mol
LogP45.14
Rot. Bonds21

About 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-(1,6,8-triphenyldibenzofuran-4-yl)-1,3,5-triazine;2-[1-(3-dibenzothiophen-4-ylphenyl)-6,8-diphenyldibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[1-[3-(4-isocyanophenyl)phenyl]-6,8-diphenyldibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine

2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-(1,6,8-triphenyldibenzofuran-4-yl)-1,3,5-triazine;2-[1-(3-dibenzothiophen-4-ylphenyl)-6,8-diphenyldibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[1-[3-(4-isocyanophenyl)phenyl]-6,8-diphenyldibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 160711279) has the molecular formula C166H102N10O4S and a molecular weight of 2332.77 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-(1,6,8-triphenyldibenzofuran-4-yl)-1,3,5-triazine;2-[1-(3-dibenzothiophen-4-ylphenyl)-6,8-diphenyldibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[1-[3-(4-isocyanophenyl)phenyl]-6,8-diphenyldibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-(1,6,8-triphenyldibenzofuran-4-yl)-1,3,5-triazine;2-[1-(3-dibenzothiophen-4-ylphenyl)-6,8-diphenyldibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[1-[3-(4-isocyanophenyl)phenyl]-6,8-diphenyldibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID160711279
Molecular FormulaC166H102N10O4S
Molecular Weight2332.77 g/mol
Exact Mass2330.78
IUPAC Name2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-(1,6,8-triphenyldibenzofuran-4-yl)-1,3,5-triazine;2-[1-(3-dibenzothiophen-4-ylphenyl)-6,8-diphenyldibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[1-[3-(4-isocyanophenyl)phenyl]-6,8-diphenyldibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
SMILES[C-]#[N+]c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4oc5c(-c6ccccc6)cc(-c6ccccc6)cc5c34)c2)cc1.c1ccc(-c2cc(-c3ccccc3)c3oc4c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)c4c3c2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc5c4oc4ccccc45)nc(-c4ccc(-c5ccccc5)c5c4oc4c(-c6ccccc6)cc(-c6ccccc6)cc45)n3)cc2)cc1
InChIInChI=1S/C57H35N3O2.C57H35N3OS.C52H32N4O/c1-5-16-36(17-6-1)38-28-30-41(31-29-38)55-58-56(46-26-15-25-45-44-24-13-14-27-50(44)61-52(45)46)60-57(59-55)47-33-32-43(39-20-9-3-10-21-39)51-49-35-42(37-18-7-2-8-19-37)34-48(53(49)62-54(47)51)40-22-11-4-12-23-40;1-5-17-36(18-6-1)42-34-48(37-19-7-2-8-20-37)52-49(35-42)51-43(40-25-15-26-41(33-40)44-28-16-29-46-45-27-13-14-30-50(45)62-54(44)46)31-32-47(53(51)61-52)57-59-55(38-21-9-3-10-22-38)58-56(60-57)39-23-11-4-12-24-39;1-53-42-27-25-35(26-28-42)39-23-14-24-40(31-39)43-29-30-44(52-55-50(37-19-10-4-11-20-37)54-51(56-52)38-21-12-5-13-22-38)49-47(43)46-33-41(34-15-6-2-7-16-34)32-45(48(46)57-49)36-17-8-3-9-18-36/h2*1-35H;2-33H
InChIKeyRRWVUSJJWBBPFE-UHFFFAOYSA-N
XLogP45.14
TPSA172.93 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds21
Heavy Atoms181
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002332.77
LogP ≤ 545.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-(1,6,8-triphenyldibenzofuran-4-yl)-1,3,5-triazine;2-[1-(3-dibenzothiophen-4-ylphenyl)-6,8-diphenyldibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[1-[3-(4-isocyanophenyl)phenyl]-6,8-diphenyldibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine 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

2-dibenzothiophen-4-yl-4-(6,8-diphenyldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 153355157
2-(4-dibenzofuran-4-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazine
CID 130288940
2-[4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155078930
2-(3-dibenzofuran-4-ylphenyl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171445309
2-[1-[3-(2-isocyanophenyl)phenyl]-6,8-diphenyldibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[1-[3-(3-isocyanophenyl)phenyl]-6,8-diphenyldibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[1-[3-(4-isocyanophenyl)phenyl]-6,8-diphenyldibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 159952584
2-[1-[3-(3-isocyanophenyl)phenyl]-6,8-diphenyldibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 156622244
2-dibenzofuran-4-yl-4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine
CID 155077964
2-dibenzofuran-4-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine
CID 170362985
2-(6,8-diphenyldibenzofuran-1-yl)-4-phenyl-6-[3-[3-[4-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-phenyl-5-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[4-[4-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 161174250
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-(8-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
CID 161063143
2-[3-[4-(4-isocyanophenyl)-6,8-diphenyldibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(3-isocyanophenyl)-6,8-diphenyldibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(4,6,8-triphenyldibenzofuran-1-yl)-1,3,5-triazine
CID 159369335
2-[2-(3-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 139549065

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-(1,6,8-triphenyldibenzofuran-4-yl)-1,3,5-triazine;2-[1-(3-dibenzothiophen-4-ylphenyl)-6,8-diphenyldibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[1-[3-(4-isocyanophenyl)phenyl]-6,8-diphenyldibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-(1,6,8-triphenyldibenzofuran-4-yl)-1,3,5-triazine;2-[1-(3-dibenzothiophen-4-ylphenyl)-6,8-diphenyldibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[1-[3-(4-isocyanophenyl)phenyl]-6,8-diphenyldibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine (CID 160711279) is 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-(1,6,8-triphenyldibenzofuran-4-yl)-1,3,5-triazine;2-[1-(3-dibenzothiophen-4-ylphenyl)-6,8-diphenyldibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[1-[3-(4-isocyanophenyl)phenyl]-6,8-diphenyldibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-(1,6,8-triphenyldibenzofuran-4-yl)-1,3,5-triazine;2-[1-(3-dibenzothiophen-4-ylphenyl)-6,8-diphenyldibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[1-[3-(4-isocyanophenyl)phenyl]-6,8-diphenyldibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-(1,6,8-triphenyldibenzofuran-4-yl)-1,3,5-triazine;2-[1-(3-dibenzothiophen-4-ylphenyl)-6,8-diphenyldibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[1-[3-(4-isocyanophenyl)phenyl]-6,8-diphenyldibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine is [C-]#[N+]c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4oc5c(-c6ccccc6)cc(-c6ccccc6)cc5c34)c2)cc1.c1ccc(-c2cc(-c3ccccc3)c3oc4c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)c4c3c2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc5c4oc4ccccc45)nc(-c4ccc(-c5ccccc5)c5c4oc4c(-c6ccccc6)cc(-c6ccccc6)cc45)n3)cc2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-(1,6,8-triphenyldibenzofuran-4-yl)-1,3,5-triazine;2-[1-(3-dibenzothiophen-4-ylphenyl)-6,8-diphenyldibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[1-[3-(4-isocyanophenyl)phenyl]-6,8-diphenyldibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is RRWVUSJJWBBPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N3O2.C57H35N3OS.C52H32N4O/c1-5-16-36(17-6-1)38-28-30-41(31-29-38)55-58-56(46-26-15-25-45-44-24-13-14-27-50(44)61-52(45)46)60-57(59-55)47-33-32-43(39-20-9-3-10-21-39)51-49-35-42(37-18-7-2-8-19-37)34-48(53(49)62-54(47)51)40-22-11-4-12-23-40;1-5-17-36(18-6-1)42-34-48(37-19-7-2-8-20-37)52-49(35-42)51-43(40-25-15-26-41(33-40)44-28-16-29-46-45-27-13-14-30-50(45)62-54(44)46)31-32-47(53(51)61-52)57-59-55(38-21-9-3-10-22-38)58-56(60-57)39-23-11-4-12-24-39;1-53-42-27-25-35(26-28-42)39-23-14-24-40(31-39)43-29-30-44(52-55-50(37-19-10-4-11-20-37)54-51(56-52)38-21-12-5-13-22-38)49-47(43)46-33-41(34-15-6-2-7-16-34)32-45(48(46)57-49)36-17-8-3-9-18-36/h2*1-35H;2-33H.
What are the key properties of 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-(1,6,8-triphenyldibenzofuran-4-yl)-1,3,5-triazine;2-[1-(3-dibenzothiophen-4-ylphenyl)-6,8-diphenyldibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[1-[3-(4-isocyanophenyl)phenyl]-6,8-diphenyldibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine?
2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-(1,6,8-triphenyldibenzofuran-4-yl)-1,3,5-triazine;2-[1-(3-dibenzothiophen-4-ylphenyl)-6,8-diphenyldibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[1-[3-(4-isocyanophenyl)phenyl]-6,8-diphenyldibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 2332.77 g/mol, XLogP of 45.14, 21 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-(1,6,8-triphenyldibenzofuran-4-yl)-1,3,5-triazine;2-[1-(3-dibenzothiophen-4-ylphenyl)-6,8-diphenyldibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[1-[3-(4-isocyanophenyl)phenyl]-6,8-diphenyldibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 160711279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).