2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;(3-chlorophenyl)boronic acid;2-[3-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;(4'-phenyl-9,9'-spirobi[fluorene]-4-yl)boronic acid;iodide

C143H96B2BrCl2IN9O4- — CID 157248623

IUPAC2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;(3-chlorophenyl)boronic acid;2-[3-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;(4'-phenyl-9,9'-spirobi[fluorene]-4-yl)boronic acid;iodide
SMILESBrc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.Clc1cccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c1.OB(O)c1cccc(Cl)c1.OB(O)c1cccc2c1-c1ccccc1C21c2ccccc2-c2c(-c3ccccc3)cccc21.[I-].c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6c(-c7ccccc7)cccc65)c4)c3)n2)cc1
InChIInChI=1S/C58H37N3.C31H21BO2.C27H18ClN3.C21H14BrN3.C6H6BClO2.HI/c1-4-18-38(19-5-1)45-30-16-34-51-53(45)47-28-10-12-32-49(47)58(51)50-33-13-11-29-48(50)54-46(31-17-35-52(54)58)43-26-14-24-41(36-43)42-25-15-27-44(37-42)57-60-55(39-20-6-2-7-21-39)59-56(61-57)40-22-8-3-9-23-40;33-32(34)28-19-9-18-27-30(28)23-13-5-7-16-25(23)31(27)24-15-6-4-12-22(24)29-21(14-8-17-26(29)31)20-10-2-1-3-11-20;28-24-16-8-14-22(18-24)21-13-7-15-23(17-21)27-30-25(19-9-3-1-4-10-19)29-26(31-27)20-11-5-2-6-12-20;22-18-13-7-12-17(14-18)21-24-19(15-8-3-1-4-9-15)23-20(25-21)16-10-5-2-6-11-16;8-6-3-1-2-5(4-6)7(9)10;/h1-37H;1-19,33-34H;1-18H;1-14H;1-4,9-10H;1H/p-1
InChIKeyDBDHDVWZZVPTEX-UHFFFAOYSA-M
MW2303.74 g/mol
LogP29.45
Rot. Bonds16

About 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;(3-chlorophenyl)boronic acid;2-[3-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;(4'-phenyl-9,9'-spirobi[fluorene]-4-yl)boronic acid;iodide

2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;(3-chlorophenyl)boronic acid;2-[3-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;(4'-phenyl-9,9'-spirobi[fluorene]-4-yl)boronic acid;iodide (PubChem CID 157248623) has the molecular formula C143H96B2BrCl2IN9O4- and a molecular weight of 2303.74 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;(3-chlorophenyl)boronic acid;2-[3-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;(4'-phenyl-9,9'-spirobi[fluorene]-4-yl)boronic acid;iodide.

Molecular Properties

Compound Name2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;(3-chlorophenyl)boronic acid;2-[3-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;(4'-phenyl-9,9'-spirobi[fluorene]-4-yl)boronic acid;iodide
PubChem CID157248623
Molecular FormulaC143H96B2BrCl2IN9O4-
Molecular Weight2303.74 g/mol
Exact Mass2300.54
IUPAC Name2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;(3-chlorophenyl)boronic acid;2-[3-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;(4'-phenyl-9,9'-spirobi[fluorene]-4-yl)boronic acid;iodide
SMILESBrc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.Clc1cccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c1.OB(O)c1cccc(Cl)c1.OB(O)c1cccc2c1-c1ccccc1C21c2ccccc2-c2c(-c3ccccc3)cccc21.[I-].c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6c(-c7ccccc7)cccc65)c4)c3)n2)cc1
InChIInChI=1S/C58H37N3.C31H21BO2.C27H18ClN3.C21H14BrN3.C6H6BClO2.HI/c1-4-18-38(19-5-1)45-30-16-34-51-53(45)47-28-10-12-32-49(47)58(51)50-33-13-11-29-48(50)54-46(31-17-35-52(54)58)43-26-14-24-41(36-43)42-25-15-27-44(37-42)57-60-55(39-20-6-2-7-21-39)59-56(61-57)40-22-8-3-9-23-40;33-32(34)28-19-9-18-27-30(28)23-13-5-7-16-25(23)31(27)24-15-6-4-12-22(24)29-21(14-8-17-26(29)31)20-10-2-1-3-11-20;28-24-16-8-14-22(18-24)21-13-7-15-23(17-21)27-30-25(19-9-3-1-4-10-19)29-26(31-27)20-11-5-2-6-12-20;22-18-13-7-12-17(14-18)21-24-19(15-8-3-1-4-9-15)23-20(25-21)16-10-5-2-6-11-16;8-6-3-1-2-5(4-6)7(9)10;/h1-37H;1-19,33-34H;1-18H;1-14H;1-4,9-10H;1H/p-1
InChIKeyDBDHDVWZZVPTEX-UHFFFAOYSA-M
XLogP29.45
TPSA196.93 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002303.74
LogP ≤ 529.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;(3-chlorophenyl)boronic acid;2-[3-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;(4'-phenyl-9,9'-spirobi[fluorene]-4-yl)boronic acid;iodide with MolForge

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Related Compounds

3-Bromo-6-chloro-9,9-difluorofluorene;3-chloro-6-(9,9-diphenylfluoren-2-yl)-9,9-difluorofluorene;(9,9-diphenylfluoren-2-yl)boronic acid;2-[6-(9,9-diphenylfluoren-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine
CID 160455868
(3-Bromo-5-chlorophenyl)boronic acid;2-(3-bromo-5-chlorophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-chloro-5-naphthalen-1-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;naphthalen-1-ylboronic acid
CID 157251814
2-Bromo-7-chloro-9,9-diphenylfluorene;7-chloro-9,9-diphenylfluorene-2-carbonitrile;2-chloro-4,6-diphenyl-1,3,5-triazine;9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluorene-2-carbonitrile;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluorene-2-carbonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157380934
2-(3-Bromophenyl)-4,6-diphenyl-1,3,5-triazine;(9,9-dimethylfluoren-2-yl)boronic acid;2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;methane
CID 157532946
2-(3-Bromophenyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;9,9'-spirobi[fluorene]-2-ylboronic acid
CID 157669511
CID 157742855
CID 157742855
2-(3-Bromophenyl)-4,6-diphenyl-1,3,5-triazine;(3-chlorophenyl)boronic acid;2-[3-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;(9,9-dimethylfluoren-1-yl)boronic acid;2-[3-[3-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;iodide
CID 157803928
2-(3-Bromophenyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;methane;9,9'-spirobi[fluorene]-2-ylboronic acid
CID 157818623
CID 157903268
CID 157903268
(3-Bromo-5-chlorophenyl)boronic acid;2-(3-bromo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-chloro-5-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-chloro-4,6-diphenyl-1,3,5-triazine;(7-cyano-9,9-dimethylfluoren-2-yl)boronic acid;(9,9-diphenylfluoren-2-yl)boronic acid
CID 157913204
CID 158135647
CID 158135647
2-(3-Bromophenyl)-4,6-diphenyl-1,3,5-triazine;(3-chlorophenyl)boronic acid;2-[3-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;(9,9-diphenylfluoren-2-yl)boronic acid;2-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;methane
CID 158140411

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;(3-chlorophenyl)boronic acid;2-[3-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;(4'-phenyl-9,9'-spirobi[fluorene]-4-yl)boronic acid;iodide?
The IUPAC name of 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;(3-chlorophenyl)boronic acid;2-[3-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;(4'-phenyl-9,9'-spirobi[fluorene]-4-yl)boronic acid;iodide (CID 157248623) is 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;(3-chlorophenyl)boronic acid;2-[3-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;(4'-phenyl-9,9'-spirobi[fluorene]-4-yl)boronic acid;iodide.
What is the SMILES notation for 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;(3-chlorophenyl)boronic acid;2-[3-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;(4'-phenyl-9,9'-spirobi[fluorene]-4-yl)boronic acid;iodide?
The canonical SMILES for 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;(3-chlorophenyl)boronic acid;2-[3-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;(4'-phenyl-9,9'-spirobi[fluorene]-4-yl)boronic acid;iodide is Brc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.Clc1cccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c1.OB(O)c1cccc(Cl)c1.OB(O)c1cccc2c1-c1ccccc1C21c2ccccc2-c2c(-c3ccccc3)cccc21.[I-].c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6c(-c7ccccc7)cccc65)c4)c3)n2)cc1.
What is the InChIKey of 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;(3-chlorophenyl)boronic acid;2-[3-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;(4'-phenyl-9,9'-spirobi[fluorene]-4-yl)boronic acid;iodide?
The InChIKey is DBDHDVWZZVPTEX-UHFFFAOYSA-M. The full InChI is InChI=1S/C58H37N3.C31H21BO2.C27H18ClN3.C21H14BrN3.C6H6BClO2.HI/c1-4-18-38(19-5-1)45-30-16-34-51-53(45)47-28-10-12-32-49(47)58(51)50-33-13-11-29-48(50)54-46(31-17-35-52(54)58)43-26-14-24-41(36-43)42-25-15-27-44(37-42)57-60-55(39-20-6-2-7-21-39)59-56(61-57)40-22-8-3-9-23-40;33-32(34)28-19-9-18-27-30(28)23-13-5-7-16-25(23)31(27)24-15-6-4-12-22(24)29-21(14-8-17-26(29)31)20-10-2-1-3-11-20;28-24-16-8-14-22(18-24)21-13-7-15-23(17-21)27-30-25(19-9-3-1-4-10-19)29-26(31-27)20-11-5-2-6-12-20;22-18-13-7-12-17(14-18)21-24-19(15-8-3-1-4-9-15)23-20(25-21)16-10-5-2-6-11-16;8-6-3-1-2-5(4-6)7(9)10;/h1-37H;1-19,33-34H;1-18H;1-14H;1-4,9-10H;1H/p-1.
What are the key properties of 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;(3-chlorophenyl)boronic acid;2-[3-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;(4'-phenyl-9,9'-spirobi[fluorene]-4-yl)boronic acid;iodide?
2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;(3-chlorophenyl)boronic acid;2-[3-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;(4'-phenyl-9,9'-spirobi[fluorene]-4-yl)boronic acid;iodide has a molecular weight of 2303.74 g/mol, XLogP of 29.45, 16 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;(3-chlorophenyl)boronic acid;2-[3-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;(4'-phenyl-9,9'-spirobi[fluorene]-4-yl)boronic acid;iodide is sourced from PubChem (CID 157248623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).