sodium;acetic acid;2-chloro-4,6-diphenyl-1,3,5-triazine;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9H-fluoren-3-yl)-9-phenylcarbazole;2-methylpropan-2-olate;palladium;phenylboronic acid;tritert-butylphosphanium;2,4,6-trichloro-1,3,5-triazine

C153H136B2Cl6N15NaO9PPd+ — CID 158953889

IUPACsodium;acetic acid;2-chloro-4,6-diphenyl-1,3,5-triazine;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9H-fluoren-3-yl)-9-phenylcarbazole;2-methylpropan-2-olate;palladium;phenylboronic acid;tritert-butylphosphanium;2,4,6-trichloro-1,3,5-triazine
SMILESCC(=O)O.CC(=O)O.CC(C)(C)[O-].CC(C)(C)[PH+](C(C)(C)C)C(C)(C)C.Clc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.Clc1nc(Cl)nc(Cl)n1.OB(O)c1ccc(Cl)cc1.OB(O)c1ccccc1.[Na+].[Pd].c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)n2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)-c4ccccc4C5)ccc32)cc1
InChIInChI=1S/C51H33N5.C31H21N.C21H14ClN3.C15H10ClN3.C12H27P.C6H6BClO2.C6H7BO2.C4H9O.C3Cl3N3.2C2H4O2.Na.Pd/c1-4-14-34(15-5-1)49-52-50(35-16-6-2-7-17-35)54-51(53-49)36-24-28-40(29-25-36)56-46-23-13-11-21-42(46)44-33-38(27-31-48(44)56)37-26-30-47-43(32-37)41-20-10-12-22-45(41)55(47)39-18-8-3-9-19-39;1-2-9-25(10-3-1)32-30-13-7-6-12-27(30)29-20-22(16-17-31(29)32)21-14-15-24-18-23-8-4-5-11-26(23)28(24)19-21;22-18-13-11-17(12-14-18)21-24-19(15-7-3-1-4-8-15)23-20(25-21)16-9-5-2-6-10-16;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12;1-10(2,3)13(11(4,5)6)12(7,8)9;8-6-3-1-5(2-4-6)7(9)10;8-7(9)6-4-2-1-3-5-6;1-4(2,3)5;4-1-7-2(5)9-3(6)8-1;2*1-2(3)4;;/h1-33H;1-17,19-20H,18H2;1-14H;1-10H;1-9H3;1-4,9-10H;1-5,8-9H;1-3H3;;2*1H3,(H,3,4);;/q;;;;;;;-1;;;;+1;/p+1
InChIKeyVPIGXDBCCAQKAZ-UHFFFAOYSA-O
MW2723.59 g/mol
LogP33.28
Rot. Bonds15

About sodium;acetic acid;2-chloro-4,6-diphenyl-1,3,5-triazine;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9H-fluoren-3-yl)-9-phenylcarbazole;2-methylpropan-2-olate;palladium;phenylboronic acid;tritert-butylphosphanium;2,4,6-trichloro-1,3,5-triazine

sodium;acetic acid;2-chloro-4,6-diphenyl-1,3,5-triazine;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9H-fluoren-3-yl)-9-phenylcarbazole;2-methylpropan-2-olate;palladium;phenylboronic acid;tritert-butylphosphanium;2,4,6-trichloro-1,3,5-triazine (PubChem CID 158953889) has the molecular formula C153H136B2Cl6N15NaO9PPd+ and a molecular weight of 2723.59 g/mol. Its IUPAC name is sodium;acetic acid;2-chloro-4,6-diphenyl-1,3,5-triazine;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9H-fluoren-3-yl)-9-phenylcarbazole;2-methylpropan-2-olate;palladium;phenylboronic acid;tritert-butylphosphanium;2,4,6-trichloro-1,3,5-triazine.

Molecular Properties

Compound Namesodium;acetic acid;2-chloro-4,6-diphenyl-1,3,5-triazine;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9H-fluoren-3-yl)-9-phenylcarbazole;2-methylpropan-2-olate;palladium;phenylboronic acid;tritert-butylphosphanium;2,4,6-trichloro-1,3,5-triazine
PubChem CID158953889
Molecular FormulaC153H136B2Cl6N15NaO9PPd+
Molecular Weight2723.59 g/mol
Exact Mass2718.76
IUPAC Namesodium;acetic acid;2-chloro-4,6-diphenyl-1,3,5-triazine;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9H-fluoren-3-yl)-9-phenylcarbazole;2-methylpropan-2-olate;palladium;phenylboronic acid;tritert-butylphosphanium;2,4,6-trichloro-1,3,5-triazine
SMILESCC(=O)O.CC(=O)O.CC(C)(C)[O-].CC(C)(C)[PH+](C(C)(C)C)C(C)(C)C.Clc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.Clc1nc(Cl)nc(Cl)n1.OB(O)c1ccc(Cl)cc1.OB(O)c1ccccc1.[Na+].[Pd].c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)n2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)-c4ccccc4C5)ccc32)cc1
InChIInChI=1S/C51H33N5.C31H21N.C21H14ClN3.C15H10ClN3.C12H27P.C6H6BClO2.C6H7BO2.C4H9O.C3Cl3N3.2C2H4O2.Na.Pd/c1-4-14-34(15-5-1)49-52-50(35-16-6-2-7-17-35)54-51(53-49)36-24-28-40(29-25-36)56-46-23-13-11-21-42(46)44-33-38(27-31-48(44)56)37-26-30-47-43(32-37)41-20-10-12-22-45(41)55(47)39-18-8-3-9-19-39;1-2-9-25(10-3-1)32-30-13-7-6-12-27(30)29-20-22(16-17-31(29)32)21-14-15-24-18-23-8-4-5-11-26(23)28(24)19-21;22-18-13-11-17(12-14-18)21-24-19(15-7-3-1-4-8-15)23-20(25-21)16-9-5-2-6-10-16;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12;1-10(2,3)13(11(4,5)6)12(7,8)9;8-6-3-1-5(2-4-6)7(9)10;8-7(9)6-4-2-1-3-5-6;1-4(2,3)5;4-1-7-2(5)9-3(6)8-1;2*1-2(3)4;;/h1-33H;1-17,19-20H,18H2;1-14H;1-10H;1-9H3;1-4,9-10H;1-5,8-9H;1-3H3;;2*1H3,(H,3,4);;/q;;;;;;;-1;;;;+1;/p+1
InChIKeyVPIGXDBCCAQKAZ-UHFFFAOYSA-O
XLogP33.28
TPSA348.05 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds15
Heavy Atoms188
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002723.59
LogP ≤ 533.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze sodium;acetic acid;2-chloro-4,6-diphenyl-1,3,5-triazine;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9H-fluoren-3-yl)-9-phenylcarbazole;2-methylpropan-2-olate;palladium;phenylboronic acid;tritert-butylphosphanium;2,4,6-trichloro-1,3,5-triazine with MolForge

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Related Compounds

(4-chlorophenyl)boronic acid;9-[3-[4-(4-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;iodomethane
CID 160802051
3-[3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-3-yl]phenyl]-9-phenylcarbazole
CID 154618882
3-(18-chloro-10-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaenyl)-9-phenylcarbazole
CID 146886402
3-carbazol-9-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]carbazole
CID 159941537
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine;3-phenyl-9H-fluorene
CID 163551188
sodium;9-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)carbazole;2,4-dichloro-6-phenyl-1,3,5-triazine;9H-fluorene;methane;2-methylpropan-2-olate;oxolane
CID 159641270
3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-4-yl]-9-phenylcarbazole
CID 158375746
sodium;3-carbazol-9-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-11,11-dimethylindeno[1,2-b]carbazole;3-chloro-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-11,11-dimethylindeno[1,2-b]carbazole;ethane;9H-fluorene;2-methylpropan-2-olate
CID 159519165
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
11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-2-yl]-5-phenylindolo[3,2-b]carbazole
CID 170280570
9-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-3-yl]carbazole
CID 146335978
2-[9-(9H-fluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 121241600

Frequently Asked Questions

What is the IUPAC name of sodium;acetic acid;2-chloro-4,6-diphenyl-1,3,5-triazine;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9H-fluoren-3-yl)-9-phenylcarbazole;2-methylpropan-2-olate;palladium;phenylboronic acid;tritert-butylphosphanium;2,4,6-trichloro-1,3,5-triazine?
The IUPAC name of sodium;acetic acid;2-chloro-4,6-diphenyl-1,3,5-triazine;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9H-fluoren-3-yl)-9-phenylcarbazole;2-methylpropan-2-olate;palladium;phenylboronic acid;tritert-butylphosphanium;2,4,6-trichloro-1,3,5-triazine (CID 158953889) is sodium;acetic acid;2-chloro-4,6-diphenyl-1,3,5-triazine;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9H-fluoren-3-yl)-9-phenylcarbazole;2-methylpropan-2-olate;palladium;phenylboronic acid;tritert-butylphosphanium;2,4,6-trichloro-1,3,5-triazine.
What is the SMILES notation for sodium;acetic acid;2-chloro-4,6-diphenyl-1,3,5-triazine;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9H-fluoren-3-yl)-9-phenylcarbazole;2-methylpropan-2-olate;palladium;phenylboronic acid;tritert-butylphosphanium;2,4,6-trichloro-1,3,5-triazine?
The canonical SMILES for sodium;acetic acid;2-chloro-4,6-diphenyl-1,3,5-triazine;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9H-fluoren-3-yl)-9-phenylcarbazole;2-methylpropan-2-olate;palladium;phenylboronic acid;tritert-butylphosphanium;2,4,6-trichloro-1,3,5-triazine is CC(=O)O.CC(=O)O.CC(C)(C)[O-].CC(C)(C)[PH+](C(C)(C)C)C(C)(C)C.Clc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.Clc1nc(Cl)nc(Cl)n1.OB(O)c1ccc(Cl)cc1.OB(O)c1ccccc1.[Na+].[Pd].c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)n2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)-c4ccccc4C5)ccc32)cc1.
What is the InChIKey of sodium;acetic acid;2-chloro-4,6-diphenyl-1,3,5-triazine;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9H-fluoren-3-yl)-9-phenylcarbazole;2-methylpropan-2-olate;palladium;phenylboronic acid;tritert-butylphosphanium;2,4,6-trichloro-1,3,5-triazine?
The InChIKey is VPIGXDBCCAQKAZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C51H33N5.C31H21N.C21H14ClN3.C15H10ClN3.C12H27P.C6H6BClO2.C6H7BO2.C4H9O.C3Cl3N3.2C2H4O2.Na.Pd/c1-4-14-34(15-5-1)49-52-50(35-16-6-2-7-17-35)54-51(53-49)36-24-28-40(29-25-36)56-46-23-13-11-21-42(46)44-33-38(27-31-48(44)56)37-26-30-47-43(32-37)41-20-10-12-22-45(41)55(47)39-18-8-3-9-19-39;1-2-9-25(10-3-1)32-30-13-7-6-12-27(30)29-20-22(16-17-31(29)32)21-14-15-24-18-23-8-4-5-11-26(23)28(24)19-21;22-18-13-11-17(12-14-18)21-24-19(15-7-3-1-4-8-15)23-20(25-21)16-9-5-2-6-10-16;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12;1-10(2,3)13(11(4,5)6)12(7,8)9;8-6-3-1-5(2-4-6)7(9)10;8-7(9)6-4-2-1-3-5-6;1-4(2,3)5;4-1-7-2(5)9-3(6)8-1;2*1-2(3)4;;/h1-33H;1-17,19-20H,18H2;1-14H;1-10H;1-9H3;1-4,9-10H;1-5,8-9H;1-3H3;;2*1H3,(H,3,4);;/q;;;;;;;-1;;;;+1;/p+1.
What are the key properties of sodium;acetic acid;2-chloro-4,6-diphenyl-1,3,5-triazine;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9H-fluoren-3-yl)-9-phenylcarbazole;2-methylpropan-2-olate;palladium;phenylboronic acid;tritert-butylphosphanium;2,4,6-trichloro-1,3,5-triazine?
sodium;acetic acid;2-chloro-4,6-diphenyl-1,3,5-triazine;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9H-fluoren-3-yl)-9-phenylcarbazole;2-methylpropan-2-olate;palladium;phenylboronic acid;tritert-butylphosphanium;2,4,6-trichloro-1,3,5-triazine has a molecular weight of 2723.59 g/mol, XLogP of 33.28, 15 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;acetic acid;2-chloro-4,6-diphenyl-1,3,5-triazine;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9H-fluoren-3-yl)-9-phenylcarbazole;2-methylpropan-2-olate;palladium;phenylboronic acid;tritert-butylphosphanium;2,4,6-trichloro-1,3,5-triazine is sourced from PubChem (CID 158953889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).