sodium;4-bromo-2,3,5,6-tetrafluorobenzonitrile;(4-cyanophenyl)boronic acid;4-(4-cyanophenyl)-2,3,5,6-tetrafluorobenzonitrile;4-(4-cyanophenyl)-2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)benzonitrile;3,6-dibromo-9H-fluorene;3,6-diphenyl-9H-fluorene;hydride;phenylboronic acid

C182H112B2Br3F8N10NaO4 — CID 158454120

IUPACsodium;4-bromo-2,3,5,6-tetrafluorobenzonitrile;(4-cyanophenyl)boronic acid;4-(4-cyanophenyl)-2,3,5,6-tetrafluorobenzonitrile;4-(4-cyanophenyl)-2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)benzonitrile;3,6-dibromo-9H-fluorene;3,6-diphenyl-9H-fluorene;hydride;phenylboronic acid
SMILESBrc1ccc2c(c1)-c1cc(Br)ccc1C2.N#Cc1c(F)c(F)c(Br)c(F)c1F.N#Cc1ccc(-c2c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c(C#N)c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1.N#Cc1ccc(-c2c(F)c(F)c(C#N)c(F)c2F)cc1.N#Cc1ccc(B(O)O)cc1.OB(O)c1ccccc1.[H-].[Na+].c1ccc(-c2ccc3c(c2)-c2cc(-c4ccccc4)ccc2C3)cc1
InChIInChI=1S/C110H68N6.C25H18.C14H4F4N2.C13H8Br2.C7H6BNO2.C7BrF4N.C6H7BO2.Na.H/c111-69-71-41-43-80(44-42-71)106-109(115-102-57-49-85(76-33-17-5-18-34-76)65-93(102)94-66-86(50-58-103(94)115)77-35-19-6-20-36-77)107(113-98-53-45-81(72-25-9-1-10-26-72)61-89(98)90-62-82(46-54-99(90)113)73-27-11-2-12-28-73)97(70-112)108(114-100-55-47-83(74-29-13-3-14-30-74)63-91(100)92-64-84(48-56-101(92)114)75-31-15-4-16-32-75)110(106)116-104-59-51-87(78-37-21-7-22-38-78)67-95(104)96-68-88(52-60-105(96)116)79-39-23-8-24-40-79;1-3-7-18(8-4-1)20-11-13-22-15-23-14-12-21(17-25(23)24(22)16-20)19-9-5-2-6-10-19;15-11-9(6-20)12(16)14(18)10(13(11)17)8-3-1-7(5-19)2-4-8;14-10-3-1-8-5-9-2-4-11(15)7-13(9)12(8)6-10;9-5-6-1-3-7(4-2-6)8(10)11;8-3-6(11)4(9)2(1-13)5(10)7(3)12;8-7(9)6-4-2-1-3-5-6;;/h1-68H;1-14,16-17H,15H2;1-4H;1-4,6-7H,5H2;1-4,10-11H;;1-5,8-9H;;/q;;;;;;;+1;-1
InChIKeyMIVZMNVOTOCKHK-UHFFFAOYSA-N
MW2939.27 g/mol
LogP42.45
Rot. Bonds18

About sodium;4-bromo-2,3,5,6-tetrafluorobenzonitrile;(4-cyanophenyl)boronic acid;4-(4-cyanophenyl)-2,3,5,6-tetrafluorobenzonitrile;4-(4-cyanophenyl)-2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)benzonitrile;3,6-dibromo-9H-fluorene;3,6-diphenyl-9H-fluorene;hydride;phenylboronic acid

sodium;4-bromo-2,3,5,6-tetrafluorobenzonitrile;(4-cyanophenyl)boronic acid;4-(4-cyanophenyl)-2,3,5,6-tetrafluorobenzonitrile;4-(4-cyanophenyl)-2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)benzonitrile;3,6-dibromo-9H-fluorene;3,6-diphenyl-9H-fluorene;hydride;phenylboronic acid (PubChem CID 158454120) has the molecular formula C182H112B2Br3F8N10NaO4 and a molecular weight of 2939.27 g/mol. Its IUPAC name is sodium;4-bromo-2,3,5,6-tetrafluorobenzonitrile;(4-cyanophenyl)boronic acid;4-(4-cyanophenyl)-2,3,5,6-tetrafluorobenzonitrile;4-(4-cyanophenyl)-2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)benzonitrile;3,6-dibromo-9H-fluorene;3,6-diphenyl-9H-fluorene;hydride;phenylboronic acid.

Molecular Properties

Compound Namesodium;4-bromo-2,3,5,6-tetrafluorobenzonitrile;(4-cyanophenyl)boronic acid;4-(4-cyanophenyl)-2,3,5,6-tetrafluorobenzonitrile;4-(4-cyanophenyl)-2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)benzonitrile;3,6-dibromo-9H-fluorene;3,6-diphenyl-9H-fluorene;hydride;phenylboronic acid
PubChem CID158454120
Molecular FormulaC182H112B2Br3F8N10NaO4
Molecular Weight2939.27 g/mol
Exact Mass2934.64
IUPAC Namesodium;4-bromo-2,3,5,6-tetrafluorobenzonitrile;(4-cyanophenyl)boronic acid;4-(4-cyanophenyl)-2,3,5,6-tetrafluorobenzonitrile;4-(4-cyanophenyl)-2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)benzonitrile;3,6-dibromo-9H-fluorene;3,6-diphenyl-9H-fluorene;hydride;phenylboronic acid
SMILESBrc1ccc2c(c1)-c1cc(Br)ccc1C2.N#Cc1c(F)c(F)c(Br)c(F)c1F.N#Cc1ccc(-c2c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c(C#N)c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1.N#Cc1ccc(-c2c(F)c(F)c(C#N)c(F)c2F)cc1.N#Cc1ccc(B(O)O)cc1.OB(O)c1ccccc1.[H-].[Na+].c1ccc(-c2ccc3c(c2)-c2cc(-c4ccccc4)ccc2C3)cc1
InChIInChI=1S/C110H68N6.C25H18.C14H4F4N2.C13H8Br2.C7H6BNO2.C7BrF4N.C6H7BO2.Na.H/c111-69-71-41-43-80(44-42-71)106-109(115-102-57-49-85(76-33-17-5-18-34-76)65-93(102)94-66-86(50-58-103(94)115)77-35-19-6-20-36-77)107(113-98-53-45-81(72-25-9-1-10-26-72)61-89(98)90-62-82(46-54-99(90)113)73-27-11-2-12-28-73)97(70-112)108(114-100-55-47-83(74-29-13-3-14-30-74)63-91(100)92-64-84(48-56-101(92)114)75-31-15-4-16-32-75)110(106)116-104-59-51-87(78-37-21-7-22-38-78)67-95(104)96-68-88(52-60-105(96)116)79-39-23-8-24-40-79;1-3-7-18(8-4-1)20-11-13-22-15-23-14-12-21(17-25(23)24(22)16-20)19-9-5-2-6-10-19;15-11-9(6-20)12(16)14(18)10(13(11)17)8-3-1-7(5-19)2-4-8;14-10-3-1-8-5-9-2-4-11(15)7-13(9)12(8)6-10;9-5-6-1-3-7(4-2-6)8(10)11;8-3-6(11)4(9)2(1-13)5(10)7(3)12;8-7(9)6-4-2-1-3-5-6;;/h1-68H;1-14,16-17H,15H2;1-4H;1-4,6-7H,5H2;1-4,10-11H;;1-5,8-9H;;/q;;;;;;;+1;-1
InChIKeyMIVZMNVOTOCKHK-UHFFFAOYSA-N
XLogP42.45
TPSA243.38 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms210
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002939.27
LogP ≤ 542.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze sodium;4-bromo-2,3,5,6-tetrafluorobenzonitrile;(4-cyanophenyl)boronic acid;4-(4-cyanophenyl)-2,3,5,6-tetrafluorobenzonitrile;4-(4-cyanophenyl)-2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)benzonitrile;3,6-dibromo-9H-fluorene;3,6-diphenyl-9H-fluorene;hydride;phenylboronic acid with MolForge

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Related Compounds

4-bromo-2,3,5,6-tetrafluorobenzonitrile;(4-cyanophenyl)boronic acid;4-(4-cyanophenyl)-2,3,5,6-tetrafluorobenzonitrile;9H-fluorene;2,3,5,6-tetra(carbazol-9-yl)-4-(4-cyanophenyl)benzonitrile
CID 157379923
methyliminophosphane;oxolane;2,3,5,6-tetrafluoro-4-phenylbenzonitrile;2,3,6-tri(carbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-phenylbenzonitrile;2,3,6-tri(carbazol-9-yl)-5-fluoro-4-phenylbenzonitrile
CID 158798184
4-bromobenzonitrile;4-(9-phenylcarbazol-3-yl)benzonitrile;(9-phenylcarbazol-3-yl)boronic acid
CID 157177412
4-[3-(4-cyanophenyl)-2,4,6-tris(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile
CID 138675036
3,5-bis(3,6-diphenylcarbazol-9-yl)-2,4,6-triphenylbenzonitrile
CID 137369312
3,6-diphenyl-9H-carbazole;2,4,5-trifluoro-3,6-diphenylbenzonitrile;2,4,5-tris(3,6-diphenylcarbazol-9-yl)-3,6-diphenylbenzonitrile
CID 160794832
2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 121312232
4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)benzonitrile
CID 139507138
3,5-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)benzonitrile
CID 147296748
3,5-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134321349
2,3,5-tri(carbazol-9-yl)-6-(2,7-diphenylcarbazol-9-yl)-4-phenylbenzonitrile
CID 167015423
4,6-di(carbazol-9-yl)-2-(4-cyanophenyl)-5-(9-phenylcarbazol-3-yl)benzene-1,3-dicarbonitrile
CID 146562295

Frequently Asked Questions

What is the IUPAC name of sodium;4-bromo-2,3,5,6-tetrafluorobenzonitrile;(4-cyanophenyl)boronic acid;4-(4-cyanophenyl)-2,3,5,6-tetrafluorobenzonitrile;4-(4-cyanophenyl)-2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)benzonitrile;3,6-dibromo-9H-fluorene;3,6-diphenyl-9H-fluorene;hydride;phenylboronic acid?
The IUPAC name of sodium;4-bromo-2,3,5,6-tetrafluorobenzonitrile;(4-cyanophenyl)boronic acid;4-(4-cyanophenyl)-2,3,5,6-tetrafluorobenzonitrile;4-(4-cyanophenyl)-2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)benzonitrile;3,6-dibromo-9H-fluorene;3,6-diphenyl-9H-fluorene;hydride;phenylboronic acid (CID 158454120) is sodium;4-bromo-2,3,5,6-tetrafluorobenzonitrile;(4-cyanophenyl)boronic acid;4-(4-cyanophenyl)-2,3,5,6-tetrafluorobenzonitrile;4-(4-cyanophenyl)-2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)benzonitrile;3,6-dibromo-9H-fluorene;3,6-diphenyl-9H-fluorene;hydride;phenylboronic acid.
What is the SMILES notation for sodium;4-bromo-2,3,5,6-tetrafluorobenzonitrile;(4-cyanophenyl)boronic acid;4-(4-cyanophenyl)-2,3,5,6-tetrafluorobenzonitrile;4-(4-cyanophenyl)-2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)benzonitrile;3,6-dibromo-9H-fluorene;3,6-diphenyl-9H-fluorene;hydride;phenylboronic acid?
The canonical SMILES for sodium;4-bromo-2,3,5,6-tetrafluorobenzonitrile;(4-cyanophenyl)boronic acid;4-(4-cyanophenyl)-2,3,5,6-tetrafluorobenzonitrile;4-(4-cyanophenyl)-2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)benzonitrile;3,6-dibromo-9H-fluorene;3,6-diphenyl-9H-fluorene;hydride;phenylboronic acid is Brc1ccc2c(c1)-c1cc(Br)ccc1C2.N#Cc1c(F)c(F)c(Br)c(F)c1F.N#Cc1ccc(-c2c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c(C#N)c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1.N#Cc1ccc(-c2c(F)c(F)c(C#N)c(F)c2F)cc1.N#Cc1ccc(B(O)O)cc1.OB(O)c1ccccc1.[H-].[Na+].c1ccc(-c2ccc3c(c2)-c2cc(-c4ccccc4)ccc2C3)cc1.
What is the InChIKey of sodium;4-bromo-2,3,5,6-tetrafluorobenzonitrile;(4-cyanophenyl)boronic acid;4-(4-cyanophenyl)-2,3,5,6-tetrafluorobenzonitrile;4-(4-cyanophenyl)-2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)benzonitrile;3,6-dibromo-9H-fluorene;3,6-diphenyl-9H-fluorene;hydride;phenylboronic acid?
The InChIKey is MIVZMNVOTOCKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H68N6.C25H18.C14H4F4N2.C13H8Br2.C7H6BNO2.C7BrF4N.C6H7BO2.Na.H/c111-69-71-41-43-80(44-42-71)106-109(115-102-57-49-85(76-33-17-5-18-34-76)65-93(102)94-66-86(50-58-103(94)115)77-35-19-6-20-36-77)107(113-98-53-45-81(72-25-9-1-10-26-72)61-89(98)90-62-82(46-54-99(90)113)73-27-11-2-12-28-73)97(70-112)108(114-100-55-47-83(74-29-13-3-14-30-74)63-91(100)92-64-84(48-56-101(92)114)75-31-15-4-16-32-75)110(106)116-104-59-51-87(78-37-21-7-22-38-78)67-95(104)96-68-88(52-60-105(96)116)79-39-23-8-24-40-79;1-3-7-18(8-4-1)20-11-13-22-15-23-14-12-21(17-25(23)24(22)16-20)19-9-5-2-6-10-19;15-11-9(6-20)12(16)14(18)10(13(11)17)8-3-1-7(5-19)2-4-8;14-10-3-1-8-5-9-2-4-11(15)7-13(9)12(8)6-10;9-5-6-1-3-7(4-2-6)8(10)11;8-3-6(11)4(9)2(1-13)5(10)7(3)12;8-7(9)6-4-2-1-3-5-6;;/h1-68H;1-14,16-17H,15H2;1-4H;1-4,6-7H,5H2;1-4,10-11H;;1-5,8-9H;;/q;;;;;;;+1;-1.
What are the key properties of sodium;4-bromo-2,3,5,6-tetrafluorobenzonitrile;(4-cyanophenyl)boronic acid;4-(4-cyanophenyl)-2,3,5,6-tetrafluorobenzonitrile;4-(4-cyanophenyl)-2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)benzonitrile;3,6-dibromo-9H-fluorene;3,6-diphenyl-9H-fluorene;hydride;phenylboronic acid?
sodium;4-bromo-2,3,5,6-tetrafluorobenzonitrile;(4-cyanophenyl)boronic acid;4-(4-cyanophenyl)-2,3,5,6-tetrafluorobenzonitrile;4-(4-cyanophenyl)-2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)benzonitrile;3,6-dibromo-9H-fluorene;3,6-diphenyl-9H-fluorene;hydride;phenylboronic acid has a molecular weight of 2939.27 g/mol, XLogP of 42.45, 18 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-bromo-2,3,5,6-tetrafluorobenzonitrile;(4-cyanophenyl)boronic acid;4-(4-cyanophenyl)-2,3,5,6-tetrafluorobenzonitrile;4-(4-cyanophenyl)-2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)benzonitrile;3,6-dibromo-9H-fluorene;3,6-diphenyl-9H-fluorene;hydride;phenylboronic acid is sourced from PubChem (CID 158454120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).