2-anthracen-9-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3,5-di(anthracen-9-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine

C90H65BBr2N6O2 — CID 158181514

IUPAC2-anthracen-9-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3,5-di(anthracen-9-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine
SMILESBrc1cc(Br)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.CC1(C)OB(c2c3ccccc3cc3ccccc23)OC1(C)C.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4c5ccccc5cc5ccccc45)cc(-c4c5ccccc5cc5ccccc45)c3)n2)cc1
InChIInChI=1S/C49H31N3.C21H13Br2N3.C20H21BO2/c1-3-15-32(16-4-1)47-50-48(33-17-5-2-6-18-33)52-49(51-47)40-30-38(45-41-23-11-7-19-34(41)27-35-20-8-12-24-42(35)45)29-39(31-40)46-43-25-13-9-21-36(43)28-37-22-10-14-26-44(37)46;22-17-11-16(12-18(23)13-17)21-25-19(14-7-3-1-4-8-14)24-20(26-21)15-9-5-2-6-10-15;1-19(2)20(3,4)23-21(22-19)18-16-11-7-5-9-14(16)13-15-10-6-8-12-17(15)18/h1-31H;1-13H;5-13H,1-4H3
InChIKeyFYQPJKYKCPTLOV-UHFFFAOYSA-N
MW1433.17 g/mol
LogP23.51
Rot. Bonds9

About 2-anthracen-9-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3,5-di(anthracen-9-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine

2-anthracen-9-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3,5-di(anthracen-9-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 158181514) has the molecular formula C90H65BBr2N6O2 and a molecular weight of 1433.17 g/mol. Its IUPAC name is 2-anthracen-9-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3,5-di(anthracen-9-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-anthracen-9-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3,5-di(anthracen-9-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine
PubChem CID158181514
Molecular FormulaC90H65BBr2N6O2
Molecular Weight1433.17 g/mol
Exact Mass1430.36
IUPAC Name2-anthracen-9-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3,5-di(anthracen-9-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine
SMILESBrc1cc(Br)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.CC1(C)OB(c2c3ccccc3cc3ccccc23)OC1(C)C.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4c5ccccc5cc5ccccc45)cc(-c4c5ccccc5cc5ccccc45)c3)n2)cc1
InChIInChI=1S/C49H31N3.C21H13Br2N3.C20H21BO2/c1-3-15-32(16-4-1)47-50-48(33-17-5-2-6-18-33)52-49(51-47)40-30-38(45-41-23-11-7-19-34(41)27-35-20-8-12-24-42(35)45)29-39(31-40)46-43-25-13-9-21-36(43)28-37-22-10-14-26-44(37)46;22-17-11-16(12-18(23)13-17)21-25-19(14-7-3-1-4-8-14)24-20(26-21)15-9-5-2-6-10-15;1-19(2)20(3,4)23-21(22-19)18-16-11-7-5-9-14(16)13-15-10-6-8-12-17(15)18/h1-31H;1-13H;5-13H,1-4H3
InChIKeyFYQPJKYKCPTLOV-UHFFFAOYSA-N
XLogP23.51
TPSA95.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001433.17
LogP ≤ 523.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-anthracen-9-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3,5-di(anthracen-9-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[4-[2-(4-Bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-diphenyl-1,3,5-triazine
CID 159391993
2-Bromo-9,9-difluorofluorene;2-[4-(9,9-difluorofluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 161209487
2-[4-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 162486346
2-(3,5-Dibromophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 58382631
2-(3,5-Dibromophenyl)-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 59510707
2-[3,5-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 68081206
4,6-Diphenyl-2-[5-(9-phenanthryl)-3-bromophenyl]-1,3,5-triazine
CID 86669959
4,6-Diphenyl-2-[5-(9-phenanthryl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 88542342
2-(3-Anthracen-9-yl-5-bromophenyl)-4,6-diphenyl-1,3,5-triazine
CID 88866068
2-(3-Bromo-5-pyren-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 88866070
2-(3-Bromo-5-phenanthren-9-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 88866071
2-(3-Bromo-5-phenanthren-2-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 88866075

Frequently Asked Questions

What is the IUPAC name of 2-anthracen-9-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3,5-di(anthracen-9-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-anthracen-9-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3,5-di(anthracen-9-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine (CID 158181514) is 2-anthracen-9-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3,5-di(anthracen-9-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-anthracen-9-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3,5-di(anthracen-9-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-anthracen-9-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3,5-di(anthracen-9-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine is Brc1cc(Br)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.CC1(C)OB(c2c3ccccc3cc3ccccc23)OC1(C)C.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4c5ccccc5cc5ccccc45)cc(-c4c5ccccc5cc5ccccc45)c3)n2)cc1.
What is the InChIKey of 2-anthracen-9-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3,5-di(anthracen-9-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is FYQPJKYKCPTLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3.C21H13Br2N3.C20H21BO2/c1-3-15-32(16-4-1)47-50-48(33-17-5-2-6-18-33)52-49(51-47)40-30-38(45-41-23-11-7-19-34(41)27-35-20-8-12-24-42(35)45)29-39(31-40)46-43-25-13-9-21-36(43)28-37-22-10-14-26-44(37)46;22-17-11-16(12-18(23)13-17)21-25-19(14-7-3-1-4-8-14)24-20(26-21)15-9-5-2-6-10-15;1-19(2)20(3,4)23-21(22-19)18-16-11-7-5-9-14(16)13-15-10-6-8-12-17(15)18/h1-31H;1-13H;5-13H,1-4H3.
What are the key properties of 2-anthracen-9-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3,5-di(anthracen-9-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine?
2-anthracen-9-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3,5-di(anthracen-9-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 1433.17 g/mol, XLogP of 23.51, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anthracen-9-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3,5-di(anthracen-9-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 158181514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).