2-[3-bromo-5-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine;(9,9-dimethylfluoren-2-yl)boronic acid;2-[3-(9,9-dimethylfluoren-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;(4-pyridin-2-ylphenyl)boronic acid

C130H98B2Br3N11O4 — CID 157114405

IUPAC2-[3-bromo-5-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine;(9,9-dimethylfluoren-2-yl)boronic acid;2-[3-(9,9-dimethylfluoren-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;(4-pyridin-2-ylphenyl)boronic acid
SMILESBrc1cc(Br)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5ccccn5)cc4)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(Br)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc21.CC1(C)c2ccccc2-c2ccc(B(O)O)cc21.OB(O)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C47H34N4.C36H26BrN3.C21H13Br2N3.C15H15BO2.C11H10BNO2/c1-47(2)41-18-10-9-17-39(41)40-25-24-35(30-42(40)47)37-27-36(31-20-22-32(23-21-31)43-19-11-12-26-48-43)28-38(29-37)46-50-44(33-13-5-3-6-14-33)49-45(51-46)34-15-7-4-8-16-34;1-36(2)31-16-10-9-15-29(31)30-18-17-25(22-32(30)36)26-19-27(21-28(37)20-26)35-39-33(23-11-5-3-6-12-23)38-34(40-35)24-13-7-4-8-14-24;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;1-15(2)13-6-4-3-5-11(13)12-8-7-10(16(17)18)9-14(12)15;14-12(15)10-6-4-9(5-7-10)11-3-1-2-8-13-11/h3-30H,1-2H3;3-22H,1-2H3;1-13H;3-9,17-18H,1-2H3;1-8,14-15H
InChIKeyAHFNTTIVIALAGN-UHFFFAOYSA-N
MW2139.62 g/mol
LogP29.68
Rot. Bonds16

About 2-[3-bromo-5-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine;(9,9-dimethylfluoren-2-yl)boronic acid;2-[3-(9,9-dimethylfluoren-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;(4-pyridin-2-ylphenyl)boronic acid

2-[3-bromo-5-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine;(9,9-dimethylfluoren-2-yl)boronic acid;2-[3-(9,9-dimethylfluoren-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;(4-pyridin-2-ylphenyl)boronic acid (PubChem CID 157114405) has the molecular formula C130H98B2Br3N11O4 and a molecular weight of 2139.62 g/mol. Its IUPAC name is 2-[3-bromo-5-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine;(9,9-dimethylfluoren-2-yl)boronic acid;2-[3-(9,9-dimethylfluoren-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;(4-pyridin-2-ylphenyl)boronic acid.

Molecular Properties

Compound Name2-[3-bromo-5-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine;(9,9-dimethylfluoren-2-yl)boronic acid;2-[3-(9,9-dimethylfluoren-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;(4-pyridin-2-ylphenyl)boronic acid
PubChem CID157114405
Molecular FormulaC130H98B2Br3N11O4
Molecular Weight2139.62 g/mol
Exact Mass2135.55
IUPAC Name2-[3-bromo-5-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine;(9,9-dimethylfluoren-2-yl)boronic acid;2-[3-(9,9-dimethylfluoren-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;(4-pyridin-2-ylphenyl)boronic acid
SMILESBrc1cc(Br)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5ccccn5)cc4)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(Br)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc21.CC1(C)c2ccccc2-c2ccc(B(O)O)cc21.OB(O)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C47H34N4.C36H26BrN3.C21H13Br2N3.C15H15BO2.C11H10BNO2/c1-47(2)41-18-10-9-17-39(41)40-25-24-35(30-42(40)47)37-27-36(31-20-22-32(23-21-31)43-19-11-12-26-48-43)28-38(29-37)46-50-44(33-13-5-3-6-14-33)49-45(51-46)34-15-7-4-8-16-34;1-36(2)31-16-10-9-15-29(31)30-18-17-25(22-32(30)36)26-19-27(21-28(37)20-26)35-39-33(23-11-5-3-6-12-23)38-34(40-35)24-13-7-4-8-14-24;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;1-15(2)13-6-4-3-5-11(13)12-8-7-10(16(17)18)9-14(12)15;14-12(15)10-6-4-9(5-7-10)11-3-1-2-8-13-11/h3-30H,1-2H3;3-22H,1-2H3;1-13H;3-9,17-18H,1-2H3;1-8,14-15H
InChIKeyAHFNTTIVIALAGN-UHFFFAOYSA-N
XLogP29.68
TPSA222.71 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002139.62
LogP ≤ 529.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2-[3-bromo-5-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine;(9,9-dimethylfluoren-2-yl)boronic acid;2-[3-(9,9-dimethylfluoren-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;(4-pyridin-2-ylphenyl)boronic acid with MolForge

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Related Compounds

2-[2'-(4,6-Dipyridin-2-yl-1,3,5-triazin-2-yl)-7,7'-dimethyl-9,9'-spirobi[fluorene]-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine
CID 58233279
2-[4-[2-[4-(4,6-Dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine
CID 58233314
2,4-Bis(4-tert-butylphenyl)-6-[6-[3-[4-[2,7-dibromo-9-(4-hexylphenyl)fluoren-9-yl]phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;iridium
CID 58280811
2-[2'-(4,6-Dipyridin-2-yl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine
CID 58827728
2-[7'-(4,6-Dipyridin-2-yl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-dipyridin-2-yl-1,3,5-triazine
CID 58827730
2-[7'-(1-methyl-2,6-dipyridin-2-yl-2H-1,3,5-triazin-4-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]-4,6-dipyridin-2-yl-1,3,5-triazine
CID 89495709
2-Cycloocta-1,5,7-trien-1-yl-4-[7'-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-6-pyridin-2-yl-1,3,5-triazine
CID 90957572
2-[7-(4,6-Dipyridin-2-yl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-4-(7-methylnona-2,4,6-trien-2-yl)-6-pyridin-2-yl-1,3,5-triazine
CID 91286303
2-[2'-(4,6-Dipyridin-2-yl-1,3,5-triazin-2-yl)-7,7'-dimethyl-9,9'-spirobi[fluorene]-2-yl]-4-(2-ethylphenyl)-6-pyridin-2-yl-1,3,5-triazine
CID 91340071
2-[7-(1-methyl-2,6-dipyridin-2-yl-2H-1,3,5-triazin-4-yl)-9,9-diphenylfluoren-2-yl]-4,6-dipyridin-2-yl-1,3,5-triazine
CID 117956983
2,4,6-Tris[2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-1,3,5-triazine
CID 122487672
3-[6-[4-[2-[3,5-Bis[2-[4-[5-[4,6-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)azirin-2-amine
CID 122487895

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-5-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine;(9,9-dimethylfluoren-2-yl)boronic acid;2-[3-(9,9-dimethylfluoren-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;(4-pyridin-2-ylphenyl)boronic acid?
The IUPAC name of 2-[3-bromo-5-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine;(9,9-dimethylfluoren-2-yl)boronic acid;2-[3-(9,9-dimethylfluoren-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;(4-pyridin-2-ylphenyl)boronic acid (CID 157114405) is 2-[3-bromo-5-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine;(9,9-dimethylfluoren-2-yl)boronic acid;2-[3-(9,9-dimethylfluoren-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;(4-pyridin-2-ylphenyl)boronic acid.
What is the SMILES notation for 2-[3-bromo-5-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine;(9,9-dimethylfluoren-2-yl)boronic acid;2-[3-(9,9-dimethylfluoren-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;(4-pyridin-2-ylphenyl)boronic acid?
The canonical SMILES for 2-[3-bromo-5-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine;(9,9-dimethylfluoren-2-yl)boronic acid;2-[3-(9,9-dimethylfluoren-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;(4-pyridin-2-ylphenyl)boronic acid is Brc1cc(Br)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5ccccn5)cc4)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(Br)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc21.CC1(C)c2ccccc2-c2ccc(B(O)O)cc21.OB(O)c1ccc(-c2ccccn2)cc1.
What is the InChIKey of 2-[3-bromo-5-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine;(9,9-dimethylfluoren-2-yl)boronic acid;2-[3-(9,9-dimethylfluoren-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;(4-pyridin-2-ylphenyl)boronic acid?
The InChIKey is AHFNTTIVIALAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34N4.C36H26BrN3.C21H13Br2N3.C15H15BO2.C11H10BNO2/c1-47(2)41-18-10-9-17-39(41)40-25-24-35(30-42(40)47)37-27-36(31-20-22-32(23-21-31)43-19-11-12-26-48-43)28-38(29-37)46-50-44(33-13-5-3-6-14-33)49-45(51-46)34-15-7-4-8-16-34;1-36(2)31-16-10-9-15-29(31)30-18-17-25(22-32(30)36)26-19-27(21-28(37)20-26)35-39-33(23-11-5-3-6-12-23)38-34(40-35)24-13-7-4-8-14-24;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;1-15(2)13-6-4-3-5-11(13)12-8-7-10(16(17)18)9-14(12)15;14-12(15)10-6-4-9(5-7-10)11-3-1-2-8-13-11/h3-30H,1-2H3;3-22H,1-2H3;1-13H;3-9,17-18H,1-2H3;1-8,14-15H.
What are the key properties of 2-[3-bromo-5-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine;(9,9-dimethylfluoren-2-yl)boronic acid;2-[3-(9,9-dimethylfluoren-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;(4-pyridin-2-ylphenyl)boronic acid?
2-[3-bromo-5-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine;(9,9-dimethylfluoren-2-yl)boronic acid;2-[3-(9,9-dimethylfluoren-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;(4-pyridin-2-ylphenyl)boronic acid has a molecular weight of 2139.62 g/mol, XLogP of 29.68, 16 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-5-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine;(9,9-dimethylfluoren-2-yl)boronic acid;2-[3-(9,9-dimethylfluoren-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;(4-pyridin-2-ylphenyl)boronic acid is sourced from PubChem (CID 157114405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).