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

C114H76BClN12O6 — CID 160760969

IUPAC2-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
SMILESCC1(C)OB(c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc3c2oc2ccccc23)OC1(C)C.Clc1nc(-c2ccccc2)nc(-c2cccc3c2oc2ccccc23)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5nc(-c6ccccc6)nc(-c6cccc7c6oc6ccccc67)n5)c5oc6ccccc6c5c4)cc3)n2)cc1
InChIInChI=1S/C54H32N6O2.C39H32BN3O3.C21H12ClN3O/c1-4-15-34(16-5-1)49-55-50(35-17-6-2-7-18-35)57-52(56-49)37-29-27-33(28-30-37)38-31-43-40-22-11-13-26-46(40)62-48(43)44(32-38)54-59-51(36-19-8-3-9-20-36)58-53(60-54)42-24-14-23-41-39-21-10-12-25-45(39)61-47(41)42;1-38(2)39(3,4)46-40(45-38)32-24-29(23-31-30-17-11-12-18-33(30)44-34(31)32)25-19-21-28(22-20-25)37-42-35(26-13-7-5-8-14-26)41-36(43-37)27-15-9-6-10-16-27;22-21-24-19(13-7-2-1-3-8-13)23-20(25-21)16-11-6-10-15-14-9-4-5-12-17(14)26-18(15)16/h1-32H;5-24H,1-4H3;1-12H
InChIKeyRYBGPBHNTGFGIO-UHFFFAOYSA-N
MW1756.20 g/mol
LogP28.02
Rot. Bonds14

About 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

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 (PubChem CID 160760969) has the molecular formula C114H76BClN12O6 and a molecular weight of 1756.20 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID160760969
Molecular FormulaC114H76BClN12O6
Molecular Weight1756.20 g/mol
Exact Mass1754.58
IUPAC Name2-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
SMILESCC1(C)OB(c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc3c2oc2ccccc23)OC1(C)C.Clc1nc(-c2ccccc2)nc(-c2cccc3c2oc2ccccc23)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5nc(-c6ccccc6)nc(-c6cccc7c6oc6ccccc67)n5)c5oc6ccccc6c5c4)cc3)n2)cc1
InChIInChI=1S/C54H32N6O2.C39H32BN3O3.C21H12ClN3O/c1-4-15-34(16-5-1)49-55-50(35-17-6-2-7-18-35)57-52(56-49)37-29-27-33(28-30-37)38-31-43-40-22-11-13-26-46(40)62-48(43)44(32-38)54-59-51(36-19-8-3-9-20-36)58-53(60-54)42-24-14-23-41-39-21-10-12-25-45(39)61-47(41)42;1-38(2)39(3,4)46-40(45-38)32-24-29(23-31-30-17-11-12-18-33(30)44-34(31)32)25-19-21-28(22-20-25)37-42-35(26-13-7-5-8-14-26)41-36(43-37)27-15-9-6-10-16-27;22-21-24-19(13-7-2-1-3-8-13)23-20(25-21)16-11-6-10-15-14-9-4-5-12-17(14)26-18(15)16/h1-32H;5-24H,1-4H3;1-12H
InChIKeyRYBGPBHNTGFGIO-UHFFFAOYSA-N
XLogP28.02
TPSA225.70 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001756.20
LogP ≤ 528.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2-chloro-4,6-diphenyl-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 161330237
2-chloro-4-(2-phenyldibenzofuran-4-yl)-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 177278863
2-chloro-4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazine
CID 155758027
2-chloro-4-dibenzofuran-4-yl-6-[3-(4-methylphenyl)phenyl]-1,3,5-triazine
CID 169278916
2-dibenzofuran-4-yl-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 139441684
2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 164942421
2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 164942555
2-phenyl-4-[7-(4-phenyldibenzofuran-2-yl)dibenzofuran-4-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170206765
2-chloro-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-4-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-4-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxolane
CID 165074197
2-chloro-4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine;2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine;2,4-diphenyl-6-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]-1,3,5-triazine
CID 160516582
2-chloro-4-dibenzofuran-4-yl-6-[3-(8-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845014
2-dibenzofuran-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155481524

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)OB(c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc3c2oc2ccccc23)OC1(C)C.Clc1nc(-c2ccccc2)nc(-c2cccc3c2oc2ccccc23)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5nc(-c6ccccc6)nc(-c6cccc7c6oc6ccccc67)n5)c5oc6ccccc6c5c4)cc3)n2)cc1.
What is the InChIKey of 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?
The InChIKey is RYBGPBHNTGFGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N6O2.C39H32BN3O3.C21H12ClN3O/c1-4-15-34(16-5-1)49-55-50(35-17-6-2-7-18-35)57-52(56-49)37-29-27-33(28-30-37)38-31-43-40-22-11-13-26-46(40)62-48(43)44(32-38)54-59-51(36-19-8-3-9-20-36)58-53(60-54)42-24-14-23-41-39-21-10-12-25-45(39)61-47(41)42;1-38(2)39(3,4)46-40(45-38)32-24-29(23-31-30-17-11-12-18-33(30)44-34(31)32)25-19-21-28(22-20-25)37-42-35(26-13-7-5-8-14-26)41-36(43-37)27-15-9-6-10-16-27;22-21-24-19(13-7-2-1-3-8-13)23-20(25-21)16-11-6-10-15-14-9-4-5-12-17(14)26-18(15)16/h1-32H;5-24H,1-4H3;1-12H.
What are the key properties of 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?
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 has a molecular weight of 1756.20 g/mol, XLogP of 28.02, 14 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160760969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).