2-(4-chlorophenyl)-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[4-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C122H82BClN6O4S2 — CID 160663263

IUPAC2-(4-chlorophenyl)-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[4-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc(C3(c4ccc5sc6ccccc6c5c4)c4ccccc4-c4ccccc43)cc2)OC1(C)C.Clc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(C5(c6ccc7sc8ccccc8c7c6)c6ccccc6-c6ccccc65)cc4)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C58H35N3OS.C37H31BO2S.C27H16ClN3O/c1-2-13-38(14-3-1)55-59-56(61-57(60-55)47-20-12-19-46-44-17-6-10-23-51(44)62-54(46)47)39-27-25-36(26-28-39)37-29-31-40(32-30-37)58(49-21-8-4-15-42(49)43-16-5-9-22-50(43)58)41-33-34-53-48(35-41)45-18-7-11-24-52(45)63-53;1-35(2)36(3,4)40-38(39-35)26-20-17-24(18-21-26)37(31-14-8-5-11-27(31)28-12-6-9-15-32(28)37)25-19-22-34-30(23-25)29-13-7-10-16-33(29)41-34;28-19-15-13-18(14-16-19)26-29-25(17-7-2-1-3-8-17)30-27(31-26)22-11-6-10-21-20-9-4-5-12-23(20)32-24(21)22/h1-35H;5-23H,1-4H3;1-16H
InChIKeyRLYJKUIHCFQJEI-UHFFFAOYSA-N
MW1806.43 g/mol
LogP31.31
Rot. Bonds12

About 2-(4-chlorophenyl)-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[4-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(4-chlorophenyl)-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[4-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 160663263) has the molecular formula C122H82BClN6O4S2 and a molecular weight of 1806.43 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[4-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[4-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID160663263
Molecular FormulaC122H82BClN6O4S2
Molecular Weight1806.43 g/mol
Exact Mass1804.56
IUPAC Name2-(4-chlorophenyl)-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[4-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc(C3(c4ccc5sc6ccccc6c5c4)c4ccccc4-c4ccccc43)cc2)OC1(C)C.Clc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(C5(c6ccc7sc8ccccc8c7c6)c6ccccc6-c6ccccc65)cc4)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C58H35N3OS.C37H31BO2S.C27H16ClN3O/c1-2-13-38(14-3-1)55-59-56(61-57(60-55)47-20-12-19-46-44-17-6-10-23-51(44)62-54(46)47)39-27-25-36(26-28-39)37-29-31-40(32-30-37)58(49-21-8-4-15-42(49)43-16-5-9-22-50(43)58)41-33-34-53-48(35-41)45-18-7-11-24-52(45)63-53;1-35(2)36(3,4)40-38(39-35)26-20-17-24(18-21-26)37(31-14-8-5-11-27(31)28-12-6-9-15-32(28)37)25-19-22-34-30(23-25)29-13-7-10-16-33(29)41-34;28-19-15-13-18(14-16-19)26-29-25(17-7-2-1-3-8-17)30-27(31-26)22-11-6-10-21-20-9-4-5-12-23(20)32-24(21)22/h1-35H;5-23H,1-4H3;1-16H
InChIKeyRLYJKUIHCFQJEI-UHFFFAOYSA-N
XLogP31.31
TPSA122.08 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001806.43
LogP ≤ 531.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenyl)-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[4-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

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Related Compounds

2-(4-chlorophenyl)-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-phenyl-6-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine;4,4,5,5-tetramethyl-2-spiro[cyclohexane-1,9'-fluorene]-2'-yl-1,3,2-dioxaborolane
CID 161055745
2-[8-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 146581921
2-[4-[3-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146581823
2-[3-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 157398141
2-chloro-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane
CID 167705819
2-dibenzofuran-4-yl-4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 165160204
CID 167609478
CID 167609478
N-(4-dibenzofuran-4-ylphenyl)-9-dibenzothiophen-2-yl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122593367
2,4-diphenyl-6-[5-[8-(9-phenylfluoren-9-yl)dibenzothiophen-2-yl]naphthalen-1-yl]-1,3,5-triazine
CID 162487268
2-[4-(9-dibenzothiophen-3-ylfluoren-9-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 146581626
2-[4-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146581949
2-chloro-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-yl]phenyl]-1,3,5-triazine
CID 160760969

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[4-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(4-chlorophenyl)-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[4-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 160663263) is 2-(4-chlorophenyl)-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[4-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(4-chlorophenyl)-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[4-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(4-chlorophenyl)-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[4-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(c2ccc(C3(c4ccc5sc6ccccc6c5c4)c4ccccc4-c4ccccc43)cc2)OC1(C)C.Clc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(C5(c6ccc7sc8ccccc8c7c6)c6ccccc6-c6ccccc65)cc4)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[4-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is RLYJKUIHCFQJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35N3OS.C37H31BO2S.C27H16ClN3O/c1-2-13-38(14-3-1)55-59-56(61-57(60-55)47-20-12-19-46-44-17-6-10-23-51(44)62-54(46)47)39-27-25-36(26-28-39)37-29-31-40(32-30-37)58(49-21-8-4-15-42(49)43-16-5-9-22-50(43)58)41-33-34-53-48(35-41)45-18-7-11-24-52(45)63-53;1-35(2)36(3,4)40-38(39-35)26-20-17-24(18-21-26)37(31-14-8-5-11-27(31)28-12-6-9-15-32(28)37)25-19-22-34-30(23-25)29-13-7-10-16-33(29)41-34;28-19-15-13-18(14-16-19)26-29-25(17-7-2-1-3-8-17)30-27(31-26)22-11-6-10-21-20-9-4-5-12-23(20)32-24(21)22/h1-35H;5-23H,1-4H3;1-16H.
What are the key properties of 2-(4-chlorophenyl)-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[4-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(4-chlorophenyl)-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[4-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 1806.43 g/mol, XLogP of 31.31, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[4-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 160663263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).