potassium;4-[6-[1-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile;[1-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;hydride;methane;oxolane;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]benzonitrile

C99H77BF9KN8O6S — CID 157344541

IUPACpotassium;4-[6-[1-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile;[1-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;hydride;methane;oxolane;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]benzonitrile
SMILESC.C1CCOC1.CC1(C)OB(c2ccc3cc(-c4ccc(C#N)cc4)ccc3c2)OC1(C)C.N#Cc1ccc(-c2ccc3cc(-c4ccc5ccccc5c4-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)ccc3c2)cc1.O=S(=O)(Oc1ccc2ccccc2c1-c1cc(-c2ccccn2)nc(-c2ccccn2)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[H-].[K+]
InChIInChI=1S/C42H26N4.C29H16F9N3O3S.C23H22BNO2.C4H8O.CH4.K.H/c43-27-28-11-13-29(14-12-28)31-15-16-33-24-34(18-17-32(33)23-31)37-20-19-30-7-1-2-8-36(30)42(37)35-25-40(38-9-3-5-21-44-38)46-41(26-35)39-10-4-6-22-45-39;30-26(31,28(34,35)36)27(32,33)29(37,38)45(42,43)44-24-12-11-17-7-1-2-8-19(17)25(24)18-15-22(20-9-3-5-13-39-20)41-23(16-18)21-10-4-6-14-40-21;1-22(2)23(3,4)27-24(26-22)21-12-11-19-13-18(9-10-20(19)14-21)17-7-5-16(15-25)6-8-17;1-2-4-5-3-1;;;/h1-26H;1-16H;5-14H,1-4H3;1-4H2;1H4;;/q;;;;;+1;-1
InChIKeyDEKYCHQDNPUDFN-UHFFFAOYSA-N
MW1727.71 g/mol
LogP21.77
Rot. Bonds15

About potassium;4-[6-[1-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile;[1-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;hydride;methane;oxolane;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]benzonitrile

potassium;4-[6-[1-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile;[1-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;hydride;methane;oxolane;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]benzonitrile (PubChem CID 157344541) has the molecular formula C99H77BF9KN8O6S and a molecular weight of 1727.71 g/mol. Its IUPAC name is potassium;4-[6-[1-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile;[1-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;hydride;methane;oxolane;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]benzonitrile.

Molecular Properties

Compound Namepotassium;4-[6-[1-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile;[1-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;hydride;methane;oxolane;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]benzonitrile
PubChem CID157344541
Molecular FormulaC99H77BF9KN8O6S
Molecular Weight1727.71 g/mol
Exact Mass1726.53
IUPAC Namepotassium;4-[6-[1-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile;[1-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;hydride;methane;oxolane;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]benzonitrile
SMILESC.C1CCOC1.CC1(C)OB(c2ccc3cc(-c4ccc(C#N)cc4)ccc3c2)OC1(C)C.N#Cc1ccc(-c2ccc3cc(-c4ccc5ccccc5c4-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)ccc3c2)cc1.O=S(=O)(Oc1ccc2ccccc2c1-c1cc(-c2ccccn2)nc(-c2ccccn2)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[H-].[K+]
InChIInChI=1S/C42H26N4.C29H16F9N3O3S.C23H22BNO2.C4H8O.CH4.K.H/c43-27-28-11-13-29(14-12-28)31-15-16-33-24-34(18-17-32(33)23-31)37-20-19-30-7-1-2-8-36(30)42(37)35-25-40(38-9-3-5-21-44-38)46-41(26-35)39-10-4-6-22-45-39;30-26(31,28(34,35)36)27(32,33)29(37,38)45(42,43)44-24-12-11-17-7-1-2-8-19(17)25(24)18-15-22(20-9-3-5-13-39-20)41-23(16-18)21-10-4-6-14-40-21;1-22(2)23(3,4)27-24(26-22)21-12-11-19-13-18(9-10-20(19)14-21)17-7-5-16(15-25)6-8-17;1-2-4-5-3-1;;;/h1-26H;1-16H;5-14H,1-4H3;1-4H2;1H4;;/q;;;;;+1;-1
InChIKeyDEKYCHQDNPUDFN-UHFFFAOYSA-N
XLogP21.77
TPSA195.98 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001727.71
LogP ≤ 521.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze potassium;4-[6-[1-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile;[1-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;hydride;methane;oxolane;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]benzonitrile with MolForge

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Related Compounds

[7-(9,9-Diphenylfluoren-2-yl)phenanthren-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[7-(9,9-diphenylfluoren-2-yl)phenanthren-2-yl]phenyl]-2-pyridin-2-ylquinoline;2-pyridin-2-yl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoline
CID 157169735
[6-(9,9-Diphenylfluoren-4-yl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[6-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]phenyl]-2-pyridin-2-ylquinoline;2-pyridin-2-yl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoline
CID 157596488
[7-(9,9-Diphenylfluoren-2-yl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[7-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-pyridin-2-ylquinoline;2-pyridin-2-yl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoline
CID 158588859
CID 159854827
CID 159854827
(5-Cyano-3-pyridinyl)boronic acid;5-dimethylboranylpyridine-3-carbonitrile;methane;5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]pyridine-3-carbonitrile;[6-(10-phenylanthracen-9-yl)naphthalen-2-yl] trifluoromethanesulfonate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbonitrile
CID 160066024
[4-(9,9-Diphenylfluoren-2-yl)naphthalen-1-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-pyridin-2-ylquinoline;2-pyridin-2-yl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoline
CID 160621569
CID 160670485
CID 160670485
Deuterium monohydride;molecular hydrogen;oxolane;4-[2-[1-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-1-yl]benzonitrile;[1-(1,10-phenanthrolin-2-yl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]benzonitrile
CID 161856855

Frequently Asked Questions

What is the IUPAC name of potassium;4-[6-[1-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile;[1-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;hydride;methane;oxolane;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]benzonitrile?
The IUPAC name of potassium;4-[6-[1-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile;[1-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;hydride;methane;oxolane;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]benzonitrile (CID 157344541) is potassium;4-[6-[1-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile;[1-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;hydride;methane;oxolane;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]benzonitrile.
What is the SMILES notation for potassium;4-[6-[1-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile;[1-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;hydride;methane;oxolane;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]benzonitrile?
The canonical SMILES for potassium;4-[6-[1-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile;[1-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;hydride;methane;oxolane;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]benzonitrile is C.C1CCOC1.CC1(C)OB(c2ccc3cc(-c4ccc(C#N)cc4)ccc3c2)OC1(C)C.N#Cc1ccc(-c2ccc3cc(-c4ccc5ccccc5c4-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)ccc3c2)cc1.O=S(=O)(Oc1ccc2ccccc2c1-c1cc(-c2ccccn2)nc(-c2ccccn2)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[H-].[K+].
What is the InChIKey of potassium;4-[6-[1-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile;[1-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;hydride;methane;oxolane;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]benzonitrile?
The InChIKey is DEKYCHQDNPUDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4.C29H16F9N3O3S.C23H22BNO2.C4H8O.CH4.K.H/c43-27-28-11-13-29(14-12-28)31-15-16-33-24-34(18-17-32(33)23-31)37-20-19-30-7-1-2-8-36(30)42(37)35-25-40(38-9-3-5-21-44-38)46-41(26-35)39-10-4-6-22-45-39;30-26(31,28(34,35)36)27(32,33)29(37,38)45(42,43)44-24-12-11-17-7-1-2-8-19(17)25(24)18-15-22(20-9-3-5-13-39-20)41-23(16-18)21-10-4-6-14-40-21;1-22(2)23(3,4)27-24(26-22)21-12-11-19-13-18(9-10-20(19)14-21)17-7-5-16(15-25)6-8-17;1-2-4-5-3-1;;;/h1-26H;1-16H;5-14H,1-4H3;1-4H2;1H4;;/q;;;;;+1;-1.
What are the key properties of potassium;4-[6-[1-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile;[1-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;hydride;methane;oxolane;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]benzonitrile?
potassium;4-[6-[1-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile;[1-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;hydride;methane;oxolane;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]benzonitrile has a molecular weight of 1727.71 g/mol, XLogP of 21.77, 15 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;4-[6-[1-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile;[1-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;hydride;methane;oxolane;4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]benzonitrile is sourced from PubChem (CID 157344541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).