1-(3-chlorophenyl)-3-phenyldibenzofuran;2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-6,9-diphenylcarbazole;6,9-diphenyl-2-[4-phenyl-6-[3-(3-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;4,4,5,5-tetramethyl-2-[3-(3-phenyldibenzofuran-1-yl)phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C156H123B3Cl2N8O9 — CID 164950454

IUPAC1-(3-chlorophenyl)-3-phenyldibenzofuran;2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-6,9-diphenylcarbazole;6,9-diphenyl-2-[4-phenyl-6-[3-(3-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;4,4,5,5-tetramethyl-2-[3-(3-phenyldibenzofuran-1-yl)phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cccc(-c3cc(-c4ccccc4)cc4oc5ccccc5c34)c2)OC1(C)C.Clc1cccc(-c2cc(-c3ccccc3)cc3oc4ccccc4c23)c1.Clc1nc(-c2ccccc2)nc(-c2ccc3c4cc(-c5ccccc5)ccc4n(-c4ccccc4)c3c2)n1.c1ccc(-c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc6c7cc(-c8ccccc8)ccc7n(-c7ccccc7)c6c5)n4)c3)c3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C57H36N4O.C33H21ClN4.C30H27BO3.C24H15ClO.C12H24B2O4/c1-5-16-37(17-6-1)40-29-31-50-49(33-40)46-30-28-43(35-51(46)61(50)45-24-11-4-12-25-45)57-59-55(39-20-9-3-10-21-39)58-56(60-57)42-23-15-22-41(32-42)48-34-44(38-18-7-2-8-19-38)36-53-54(48)47-26-13-14-27-52(47)62-53;34-33-36-31(23-12-6-2-7-13-23)35-32(37-33)25-16-18-27-28-20-24(22-10-4-1-5-11-22)17-19-29(28)38(30(27)21-25)26-14-8-3-9-15-26;1-29(2)30(3,4)34-31(33-29)23-14-10-13-21(17-23)25-18-22(20-11-6-5-7-12-20)19-27-28(25)24-15-8-9-16-26(24)32-27;25-19-10-6-9-17(13-19)21-14-18(16-7-2-1-3-8-16)15-23-24(21)20-11-4-5-12-22(20)26-23;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h1-36H;1-21H;5-19H,1-4H3;1-15H;1-8H3
InChIKeyALMWXJCGSYWABD-UHFFFAOYSA-N
MW2357.09 g/mol
LogP40.53
Rot. Bonds17

About 1-(3-chlorophenyl)-3-phenyldibenzofuran;2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-6,9-diphenylcarbazole;6,9-diphenyl-2-[4-phenyl-6-[3-(3-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;4,4,5,5-tetramethyl-2-[3-(3-phenyldibenzofuran-1-yl)phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

1-(3-chlorophenyl)-3-phenyldibenzofuran;2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-6,9-diphenylcarbazole;6,9-diphenyl-2-[4-phenyl-6-[3-(3-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;4,4,5,5-tetramethyl-2-[3-(3-phenyldibenzofuran-1-yl)phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 164950454) has the molecular formula C156H123B3Cl2N8O9 and a molecular weight of 2357.09 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-phenyldibenzofuran;2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-6,9-diphenylcarbazole;6,9-diphenyl-2-[4-phenyl-6-[3-(3-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;4,4,5,5-tetramethyl-2-[3-(3-phenyldibenzofuran-1-yl)phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-phenyldibenzofuran;2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-6,9-diphenylcarbazole;6,9-diphenyl-2-[4-phenyl-6-[3-(3-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;4,4,5,5-tetramethyl-2-[3-(3-phenyldibenzofuran-1-yl)phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
PubChem CID164950454
Molecular FormulaC156H123B3Cl2N8O9
Molecular Weight2357.09 g/mol
Exact Mass2354.91
IUPAC Name1-(3-chlorophenyl)-3-phenyldibenzofuran;2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-6,9-diphenylcarbazole;6,9-diphenyl-2-[4-phenyl-6-[3-(3-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;4,4,5,5-tetramethyl-2-[3-(3-phenyldibenzofuran-1-yl)phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cccc(-c3cc(-c4ccccc4)cc4oc5ccccc5c34)c2)OC1(C)C.Clc1cccc(-c2cc(-c3ccccc3)cc3oc4ccccc4c23)c1.Clc1nc(-c2ccccc2)nc(-c2ccc3c4cc(-c5ccccc5)ccc4n(-c4ccccc4)c3c2)n1.c1ccc(-c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc6c7cc(-c8ccccc8)ccc7n(-c7ccccc7)c6c5)n4)c3)c3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C57H36N4O.C33H21ClN4.C30H27BO3.C24H15ClO.C12H24B2O4/c1-5-16-37(17-6-1)40-29-31-50-49(33-40)46-30-28-43(35-51(46)61(50)45-24-11-4-12-25-45)57-59-55(39-20-9-3-10-21-39)58-56(60-57)42-23-15-22-41(32-42)48-34-44(38-18-7-2-8-19-38)36-53-54(48)47-26-13-14-27-52(47)62-53;34-33-36-31(23-12-6-2-7-13-23)35-32(37-33)25-16-18-27-28-20-24(22-10-4-1-5-11-22)17-19-29(28)38(30(27)21-25)26-14-8-3-9-15-26;1-29(2)30(3,4)34-31(33-29)23-14-10-13-21(17-23)25-18-22(20-11-6-5-7-12-20)19-27-28(25)24-15-8-9-16-26(24)32-27;25-19-10-6-9-17(13-19)21-14-18(16-7-2-1-3-8-16)15-23-24(21)20-11-4-5-12-22(20)26-23;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h1-36H;1-21H;5-19H,1-4H3;1-15H;1-8H3
InChIKeyALMWXJCGSYWABD-UHFFFAOYSA-N
XLogP40.53
TPSA182.00 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds17
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002357.09
LogP ≤ 540.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 1-(3-chlorophenyl)-3-phenyldibenzofuran;2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-6,9-diphenylcarbazole;6,9-diphenyl-2-[4-phenyl-6-[3-(3-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;4,4,5,5-tetramethyl-2-[3-(3-phenyldibenzofuran-1-yl)phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane with MolForge

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Related Compounds

9-phenyl-3-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole
CID 162775185
3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-6,9-diphenylcarbazole;3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-6,9-diphenylcarbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenyl-2-triphenylen-2-ylcarbazole
CID 163786924
9-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)carbazole;9-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole;4,4,5,5-tetramethyl-2-(9-phenyldibenzofuran-3-yl)-1,3,2-dioxaborolane
CID 160743240
2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 118507595
3-[4-[4-(3-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole;3-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 167546281
2-chloro-4,6-diphenyl-1,3,5-triazine;3-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-oxa-14-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl]-9-phenylcarbazole;9-phenyl-3-[16-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9-oxa-14-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl]carbazole
CID 159497049
9-[3-[4-phenyl-6-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 147372231
3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]-9-(4-phenylphenyl)carbazole
CID 158968251
2-[8-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]dibenzofuran-1-yl]-9-phenylcarbazole
CID 138475052
3-[9-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-6,9-diphenylcarbazole
CID 168768312
2-dibenzofuran-1-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-dibenzofuran-1-yl-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;2-dibenzofuran-1-yl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 161252356
3-dibenzofuran-1-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzofuran-1-yl-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 165052317

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-phenyldibenzofuran;2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-6,9-diphenylcarbazole;6,9-diphenyl-2-[4-phenyl-6-[3-(3-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;4,4,5,5-tetramethyl-2-[3-(3-phenyldibenzofuran-1-yl)phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of 1-(3-chlorophenyl)-3-phenyldibenzofuran;2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-6,9-diphenylcarbazole;6,9-diphenyl-2-[4-phenyl-6-[3-(3-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;4,4,5,5-tetramethyl-2-[3-(3-phenyldibenzofuran-1-yl)phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 164950454) is 1-(3-chlorophenyl)-3-phenyldibenzofuran;2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-6,9-diphenylcarbazole;6,9-diphenyl-2-[4-phenyl-6-[3-(3-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;4,4,5,5-tetramethyl-2-[3-(3-phenyldibenzofuran-1-yl)phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 1-(3-chlorophenyl)-3-phenyldibenzofuran;2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-6,9-diphenylcarbazole;6,9-diphenyl-2-[4-phenyl-6-[3-(3-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;4,4,5,5-tetramethyl-2-[3-(3-phenyldibenzofuran-1-yl)phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 1-(3-chlorophenyl)-3-phenyldibenzofuran;2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-6,9-diphenylcarbazole;6,9-diphenyl-2-[4-phenyl-6-[3-(3-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;4,4,5,5-tetramethyl-2-[3-(3-phenyldibenzofuran-1-yl)phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cccc(-c3cc(-c4ccccc4)cc4oc5ccccc5c34)c2)OC1(C)C.Clc1cccc(-c2cc(-c3ccccc3)cc3oc4ccccc4c23)c1.Clc1nc(-c2ccccc2)nc(-c2ccc3c4cc(-c5ccccc5)ccc4n(-c4ccccc4)c3c2)n1.c1ccc(-c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc6c7cc(-c8ccccc8)ccc7n(-c7ccccc7)c6c5)n4)c3)c3c(c2)oc2ccccc23)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-3-phenyldibenzofuran;2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-6,9-diphenylcarbazole;6,9-diphenyl-2-[4-phenyl-6-[3-(3-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;4,4,5,5-tetramethyl-2-[3-(3-phenyldibenzofuran-1-yl)phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is ALMWXJCGSYWABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4O.C33H21ClN4.C30H27BO3.C24H15ClO.C12H24B2O4/c1-5-16-37(17-6-1)40-29-31-50-49(33-40)46-30-28-43(35-51(46)61(50)45-24-11-4-12-25-45)57-59-55(39-20-9-3-10-21-39)58-56(60-57)42-23-15-22-41(32-42)48-34-44(38-18-7-2-8-19-38)36-53-54(48)47-26-13-14-27-52(47)62-53;34-33-36-31(23-12-6-2-7-13-23)35-32(37-33)25-16-18-27-28-20-24(22-10-4-1-5-11-22)17-19-29(28)38(30(27)21-25)26-14-8-3-9-15-26;1-29(2)30(3,4)34-31(33-29)23-14-10-13-21(17-23)25-18-22(20-11-6-5-7-12-20)19-27-28(25)24-15-8-9-16-26(24)32-27;25-19-10-6-9-17(13-19)21-14-18(16-7-2-1-3-8-16)15-23-24(21)20-11-4-5-12-22(20)26-23;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h1-36H;1-21H;5-19H,1-4H3;1-15H;1-8H3.
What are the key properties of 1-(3-chlorophenyl)-3-phenyldibenzofuran;2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-6,9-diphenylcarbazole;6,9-diphenyl-2-[4-phenyl-6-[3-(3-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;4,4,5,5-tetramethyl-2-[3-(3-phenyldibenzofuran-1-yl)phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
1-(3-chlorophenyl)-3-phenyldibenzofuran;2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-6,9-diphenylcarbazole;6,9-diphenyl-2-[4-phenyl-6-[3-(3-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;4,4,5,5-tetramethyl-2-[3-(3-phenyldibenzofuran-1-yl)phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 2357.09 g/mol, XLogP of 40.53, 17 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-phenyldibenzofuran;2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-6,9-diphenylcarbazole;6,9-diphenyl-2-[4-phenyl-6-[3-(3-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazin-2-yl]carbazole;4,4,5,5-tetramethyl-2-[3-(3-phenyldibenzofuran-1-yl)phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 164950454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).