potassium;4-(4-cyano-3-fluorophenyl)-2-fluorobenzonitrile;4-[4-cyano-3-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)phenyl]-2-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)benzonitrile;1,2,3,4,5,6,7,8-octamethyl-9,10-dihydroacridine;oxido-oxidooxy-oxophosphanium;potassiopotassium

C91H91F2K3N7O4P — CID 157187577

IUPACpotassium;4-(4-cyano-3-fluorophenyl)-2-fluorobenzonitrile;4-[4-cyano-3-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)phenyl]-2-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)benzonitrile;1,2,3,4,5,6,7,8-octamethyl-9,10-dihydroacridine;oxido-oxidooxy-oxophosphanium;potassiopotassium
SMILESCc1c(C)c(C)c2c(c1C)Cc1c(C)c(C)c(C)c(C)c1N2.Cc1c(C)c(C)c2c(c1C)Cc1c(C)c(C)c(C)c(C)c1N2c1cc(-c2ccc(C#N)c(N3c4c(C)c(C)c(C)c(C)c4Cc4c(C)c(C)c(C)c(C)c43)c2)ccc1C#N.N#Cc1ccc(-c2ccc(C#N)c(F)c2)cc1F.O=[P+]([O-])O[O-].[K+].[K][K]
InChIInChI=1S/C56H58N4.C21H27N.C14H6F2N2.3K.HO4P/c1-27-31(5)39(13)53-47(35(27)9)23-48-36(10)28(2)32(6)40(14)54(48)59(53)51-21-43(17-19-45(51)25-57)44-18-20-46(26-58)52(22-44)60-55-41(15)33(7)29(3)37(11)49(55)24-50-38(12)30(4)34(8)42(16)56(50)60;1-10-12(3)16(7)20-18(14(10)5)9-19-15(6)11(2)13(4)17(8)21(19)22-20;15-13-5-9(1-3-11(13)7-17)10-2-4-12(8-18)14(16)6-10;;;;1-4-5(2)3/h17-22H,23-24H2,1-16H3;22H,9H2,1-8H3;1-6H;;;;1H/q;;;;;+1;/p-1
InChIKeyAPHLBDIEHNTABA-UHFFFAOYSA-M
MW1533.04 g/mol
LogP18.50
Rot. Bonds5

About potassium;4-(4-cyano-3-fluorophenyl)-2-fluorobenzonitrile;4-[4-cyano-3-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)phenyl]-2-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)benzonitrile;1,2,3,4,5,6,7,8-octamethyl-9,10-dihydroacridine;oxido-oxidooxy-oxophosphanium;potassiopotassium

potassium;4-(4-cyano-3-fluorophenyl)-2-fluorobenzonitrile;4-[4-cyano-3-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)phenyl]-2-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)benzonitrile;1,2,3,4,5,6,7,8-octamethyl-9,10-dihydroacridine;oxido-oxidooxy-oxophosphanium;potassiopotassium (PubChem CID 157187577) has the molecular formula C91H91F2K3N7O4P and a molecular weight of 1533.04 g/mol. Its IUPAC name is potassium;4-(4-cyano-3-fluorophenyl)-2-fluorobenzonitrile;4-[4-cyano-3-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)phenyl]-2-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)benzonitrile;1,2,3,4,5,6,7,8-octamethyl-9,10-dihydroacridine;oxido-oxidooxy-oxophosphanium;potassiopotassium.

Molecular Properties

Compound Namepotassium;4-(4-cyano-3-fluorophenyl)-2-fluorobenzonitrile;4-[4-cyano-3-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)phenyl]-2-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)benzonitrile;1,2,3,4,5,6,7,8-octamethyl-9,10-dihydroacridine;oxido-oxidooxy-oxophosphanium;potassiopotassium
PubChem CID157187577
Molecular FormulaC91H91F2K3N7O4P
Molecular Weight1533.04 g/mol
Exact Mass1531.57
IUPAC Namepotassium;4-(4-cyano-3-fluorophenyl)-2-fluorobenzonitrile;4-[4-cyano-3-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)phenyl]-2-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)benzonitrile;1,2,3,4,5,6,7,8-octamethyl-9,10-dihydroacridine;oxido-oxidooxy-oxophosphanium;potassiopotassium
SMILESCc1c(C)c(C)c2c(c1C)Cc1c(C)c(C)c(C)c(C)c1N2.Cc1c(C)c(C)c2c(c1C)Cc1c(C)c(C)c(C)c(C)c1N2c1cc(-c2ccc(C#N)c(N3c4c(C)c(C)c(C)c(C)c4Cc4c(C)c(C)c(C)c(C)c43)c2)ccc1C#N.N#Cc1ccc(-c2ccc(C#N)c(F)c2)cc1F.O=[P+]([O-])O[O-].[K+].[K][K]
InChIInChI=1S/C56H58N4.C21H27N.C14H6F2N2.3K.HO4P/c1-27-31(5)39(13)53-47(35(27)9)23-48-36(10)28(2)32(6)40(14)54(48)59(53)51-21-43(17-19-45(51)25-57)44-18-20-46(26-58)52(22-44)60-55-41(15)33(7)29(3)37(11)49(55)24-50-38(12)30(4)34(8)42(16)56(50)60;1-10-12(3)16(7)20-18(14(10)5)9-19-15(6)11(2)13(4)17(8)21(19)22-20;15-13-5-9(1-3-11(13)7-17)10-2-4-12(8-18)14(16)6-10;;;;1-4-5(2)3/h17-22H,23-24H2,1-16H3;22H,9H2,1-8H3;1-6H;;;;1H/q;;;;;+1;/p-1
InChIKeyAPHLBDIEHNTABA-UHFFFAOYSA-M
XLogP18.50
TPSA186.09 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001533.04
LogP ≤ 518.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze potassium;4-(4-cyano-3-fluorophenyl)-2-fluorobenzonitrile;4-[4-cyano-3-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)phenyl]-2-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)benzonitrile;1,2,3,4,5,6,7,8-octamethyl-9,10-dihydroacridine;oxido-oxidooxy-oxophosphanium;potassiopotassium with MolForge

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Related Compounds

dipotassium;2,4-bis[2-fluoro-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazine;3-[4-(5-cyano-2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorobenzonitrile;3-[4-[5-cyano-2-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)benzonitrile;bis(1,2,3,4,5,6,7,8-octamethyl-9,10-dihydroacridine);1,2,3,4,5,6,7,8-octamethyl-10-[2-[4-[2-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-9H-acridine;bis(oxido-oxidooxy-oxophosphanium);potassiopotassium
CID 159986059
dipotassium;3-[2,4-bis(trifluoromethyl)phenyl]-2,6-bis(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)benzonitrile;4-[2,4-bis(trifluoromethyl)phenyl]-2,6-bis(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)benzonitrile;3-[2,4-bis(trifluoromethyl)phenyl]-2,6-difluorobenzonitrile;4-[2,4-bis(trifluoromethyl)phenyl]-2,6-difluorobenzonitrile;bis(1,2,3,4,5,6,7,8-octamethyl-9,10-dihydroacridine);bis(oxido-oxidooxy-oxophosphanium);potassiopotassium
CID 159085267
dipotassium;3,5-bis(2,6-diphenylpyrimidin-4-yl)-4-fluorobenzonitrile;3,5-bis(2,6-diphenylpyrimidin-4-yl)-4-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)benzonitrile;10-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-1,2,3,4,5,6,7,8-octamethyl-9H-acridine;deuteride;4-[3-(2,6-diphenylpyrimidin-4-yl)-2-fluoro-5-(trifluoromethyl)phenyl]-2,6-diphenylpyrimidine;molecular hydrogen;bis(1,2,3,4,5,6,7,8-octamethyl-9,10-dihydroacridine);bis(oxido-oxidooxy-oxophosphanium);potassiopotassium
CID 161058894
4-(3,4-dimethoxyphenyl)-2-fluorobenzonitrile
CID 59689087
2-fluoro-4-[3-(hydroxymethyl)phenyl]benzonitrile
CID 118042438
4-(1-amino-5,5-dimethyl-7-oxo-4,6-dihydroindol-3-yl)-2-fluorobenzonitrile
CID 143636840
4-[1-(4-cyclopropylphenyl)-4-hydroxy-5-methyl-6-oxopyrimidin-2-yl]-2-fluorobenzonitrile
CID 139324329
2-fluoro-4-(4-propylphenyl)benzonitrile
CID 15085130
4-(6,7-dihydro-1H-indazol-4-yl)-2-fluorobenzonitrile
CID 71114832
4-(3-bromo-4-methyl-5-nitro-6-piperidin-1-yl-2-pyridinyl)-2-fluorobenzonitrile
CID 175978784
5-(3-fluoro-4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 82118011
2-fluoro-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzonitrile
CID 14766020

Frequently Asked Questions

What is the IUPAC name of potassium;4-(4-cyano-3-fluorophenyl)-2-fluorobenzonitrile;4-[4-cyano-3-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)phenyl]-2-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)benzonitrile;1,2,3,4,5,6,7,8-octamethyl-9,10-dihydroacridine;oxido-oxidooxy-oxophosphanium;potassiopotassium?
The IUPAC name of potassium;4-(4-cyano-3-fluorophenyl)-2-fluorobenzonitrile;4-[4-cyano-3-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)phenyl]-2-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)benzonitrile;1,2,3,4,5,6,7,8-octamethyl-9,10-dihydroacridine;oxido-oxidooxy-oxophosphanium;potassiopotassium (CID 157187577) is potassium;4-(4-cyano-3-fluorophenyl)-2-fluorobenzonitrile;4-[4-cyano-3-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)phenyl]-2-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)benzonitrile;1,2,3,4,5,6,7,8-octamethyl-9,10-dihydroacridine;oxido-oxidooxy-oxophosphanium;potassiopotassium.
What is the SMILES notation for potassium;4-(4-cyano-3-fluorophenyl)-2-fluorobenzonitrile;4-[4-cyano-3-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)phenyl]-2-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)benzonitrile;1,2,3,4,5,6,7,8-octamethyl-9,10-dihydroacridine;oxido-oxidooxy-oxophosphanium;potassiopotassium?
The canonical SMILES for potassium;4-(4-cyano-3-fluorophenyl)-2-fluorobenzonitrile;4-[4-cyano-3-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)phenyl]-2-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)benzonitrile;1,2,3,4,5,6,7,8-octamethyl-9,10-dihydroacridine;oxido-oxidooxy-oxophosphanium;potassiopotassium is Cc1c(C)c(C)c2c(c1C)Cc1c(C)c(C)c(C)c(C)c1N2.Cc1c(C)c(C)c2c(c1C)Cc1c(C)c(C)c(C)c(C)c1N2c1cc(-c2ccc(C#N)c(N3c4c(C)c(C)c(C)c(C)c4Cc4c(C)c(C)c(C)c(C)c43)c2)ccc1C#N.N#Cc1ccc(-c2ccc(C#N)c(F)c2)cc1F.O=[P+]([O-])O[O-].[K+].[K][K].
What is the InChIKey of potassium;4-(4-cyano-3-fluorophenyl)-2-fluorobenzonitrile;4-[4-cyano-3-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)phenyl]-2-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)benzonitrile;1,2,3,4,5,6,7,8-octamethyl-9,10-dihydroacridine;oxido-oxidooxy-oxophosphanium;potassiopotassium?
The InChIKey is APHLBDIEHNTABA-UHFFFAOYSA-M. The full InChI is InChI=1S/C56H58N4.C21H27N.C14H6F2N2.3K.HO4P/c1-27-31(5)39(13)53-47(35(27)9)23-48-36(10)28(2)32(6)40(14)54(48)59(53)51-21-43(17-19-45(51)25-57)44-18-20-46(26-58)52(22-44)60-55-41(15)33(7)29(3)37(11)49(55)24-50-38(12)30(4)34(8)42(16)56(50)60;1-10-12(3)16(7)20-18(14(10)5)9-19-15(6)11(2)13(4)17(8)21(19)22-20;15-13-5-9(1-3-11(13)7-17)10-2-4-12(8-18)14(16)6-10;;;;1-4-5(2)3/h17-22H,23-24H2,1-16H3;22H,9H2,1-8H3;1-6H;;;;1H/q;;;;;+1;/p-1.
What are the key properties of potassium;4-(4-cyano-3-fluorophenyl)-2-fluorobenzonitrile;4-[4-cyano-3-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)phenyl]-2-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)benzonitrile;1,2,3,4,5,6,7,8-octamethyl-9,10-dihydroacridine;oxido-oxidooxy-oxophosphanium;potassiopotassium?
potassium;4-(4-cyano-3-fluorophenyl)-2-fluorobenzonitrile;4-[4-cyano-3-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)phenyl]-2-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)benzonitrile;1,2,3,4,5,6,7,8-octamethyl-9,10-dihydroacridine;oxido-oxidooxy-oxophosphanium;potassiopotassium has a molecular weight of 1533.04 g/mol, XLogP of 18.50, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;4-(4-cyano-3-fluorophenyl)-2-fluorobenzonitrile;4-[4-cyano-3-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)phenyl]-2-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)benzonitrile;1,2,3,4,5,6,7,8-octamethyl-9,10-dihydroacridine;oxido-oxidooxy-oxophosphanium;potassiopotassium is sourced from PubChem (CID 157187577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).