nonapotassium;2,5-diphenyl-1,3,4-oxadiazole;ethane;hydride;1-methylnaphthalene;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline;toluene

C115H194K9N13O — CID 158696343

IUPACnonapotassium;2,5-diphenyl-1,3,4-oxadiazole;ethane;hydride;1-methylnaphthalene;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccc2ccccc12.Cc1ccccc1.[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].c1ccc(-c2nnc(-c3ccccc3)o2)cc1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1
InChIInChI=1S/C14H10N2O.C11H10.2C9H7N.C8H6N2.C7H8.C5H5N.3C4H4N2.20C2H6.9K.9H/c1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12;1-9-5-4-7-10-6-2-3-8-11(9)10;2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)9-5-6-10-8;1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;20*1-2;;;;;;;;;;;;;;;;;;/h1-10H;2-8H,1H3;2*1-7H;1-6H;2-6H,1H3;1-5H;3*1-4H;20*1-2H3;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;9*+1;9*-1
InChIKeyRVXIWPLHJKZXLX-UHFFFAOYSA-N
MW2126.79 g/mol
LogP11.73
Rot. Bonds2

About nonapotassium;2,5-diphenyl-1,3,4-oxadiazole;ethane;hydride;1-methylnaphthalene;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline;toluene

nonapotassium;2,5-diphenyl-1,3,4-oxadiazole;ethane;hydride;1-methylnaphthalene;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline;toluene (PubChem CID 158696343) has the molecular formula C115H194K9N13O and a molecular weight of 2126.79 g/mol. Its IUPAC name is nonapotassium;2,5-diphenyl-1,3,4-oxadiazole;ethane;hydride;1-methylnaphthalene;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline;toluene.

Molecular Properties

Compound Namenonapotassium;2,5-diphenyl-1,3,4-oxadiazole;ethane;hydride;1-methylnaphthalene;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline;toluene
PubChem CID158696343
Molecular FormulaC115H194K9N13O
Molecular Weight2126.79 g/mol
Exact Mass2124.23
IUPAC Namenonapotassium;2,5-diphenyl-1,3,4-oxadiazole;ethane;hydride;1-methylnaphthalene;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccc2ccccc12.Cc1ccccc1.[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].c1ccc(-c2nnc(-c3ccccc3)o2)cc1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1
InChIInChI=1S/C14H10N2O.C11H10.2C9H7N.C8H6N2.C7H8.C5H5N.3C4H4N2.20C2H6.9K.9H/c1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12;1-9-5-4-7-10-6-2-3-8-11(9)10;2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)9-5-6-10-8;1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;20*1-2;;;;;;;;;;;;;;;;;;/h1-10H;2-8H,1H3;2*1-7H;1-6H;2-6H,1H3;1-5H;3*1-4H;20*1-2H3;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;9*+1;9*-1
InChIKeyRVXIWPLHJKZXLX-UHFFFAOYSA-N
XLogP11.73
TPSA180.71 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds2
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002126.79
LogP ≤ 511.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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Related Compounds

2-[3-[3-Isoquinolin-4-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-5-pyridin-3-ylphenyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 58480044
2-Phenyl-5-[4-(10-quinazolin-5-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole
CID 59501367
2-Phenyl-5-[4-(10-quinazolin-4-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole
CID 59501396
2-(4-Tert-butylphenyl)-5-[7'-(3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinolin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole
CID 146581064
2-(4-Tert-butylphenyl)-5-[9,9-diphenyl-7-(3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinolin-2-yl)fluoren-2-yl]-1,3,4-oxadiazole
CID 146581066
2-(4-Tert-butylphenyl)-5-[9-cyclohexa-2,4-dien-1-yl-9-phenyl-7-(3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinolin-2-yl)fluoren-2-yl]-1,3,4-oxadiazole
CID 148104768
2-(4-Tert-butylphenyl)-5-[9,9-diphenyl-7-(3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinolin-2-yl)fluoren-2-yl]-1,3,4-oxadiazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinoline;2-(9,9-diphenyl-7-pyridin-3-ylfluoren-2-yl)-3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinoline;2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]-3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinoline
CID 157164567
2-Tert-butyl-5-phenyl-1,3,4-oxadiazole;bis(2-tert-butylpyridine);4-tert-butylpyrimidine;bis(2-tert-butylquinoline)
CID 157170123
2,5-Bis(4-methylphenyl)-1,3,4-oxadiazole;4,7-dimethyl-2,1,3-benzothiadiazole;ethane;phenazine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline
CID 157232935
1-tert-butyl-2-propan-2-ylbenzene;1,3-diethyl-2-propan-2-ylbenzene;1-ethyl-3-methyl-2-propan-2-ylbenzene;N'-[(4-propan-2-ylphenyl)methyl]ethanimidamide;N-[(4-propan-2-ylphenyl)methyl]prop-1-en-2-amine;N'-[[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methyl]ethanimidamide;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;5-propan-2-ylquinoxaline;1,2,3-tri(propan-2-yl)benzene
CID 157272822
1-(3-Aminoisoquinolin-4-yl)-3-(4-carbamimidoylphenyl)urea;4-[4-(3-aminoisoquinolin-4-yl)phenyl]benzenecarboximidamide;4-[2-(3-aminoisoquinolin-4-yl)pyrimidin-5-yl]benzenecarboximidamide;4-[5-(3-aminoisoquinolin-4-yl)pyrimidin-2-yl]benzenecarboximidamide;4-[5-(4-ethanimidoylphenyl)-1,3,4-oxadiazol-2-yl]isoquinolin-3-amine;4-[1-(4-ethanimidoylphenyl)pyrazol-3-yl]isoquinolin-3-amine
CID 157321788
4-[4-(10-Phenylphenanthridin-6-yl)phenyl]benzonitrile;2-phenyl-5-[4-(10-phenylphenanthridin-6-yl)phenyl]-1,3,4-oxadiazole;10-phenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenanthridine;10-phenyl-6-[4-(6-phenyl-2-pyridinyl)phenyl]phenanthridine;10-phenyl-6-(4-pyridin-2-ylphenyl)phenanthridine;10-phenyl-6-(4-quinolin-6-ylphenyl)phenanthridine
CID 157416213

Frequently Asked Questions

What is the IUPAC name of nonapotassium;2,5-diphenyl-1,3,4-oxadiazole;ethane;hydride;1-methylnaphthalene;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline;toluene?
The IUPAC name of nonapotassium;2,5-diphenyl-1,3,4-oxadiazole;ethane;hydride;1-methylnaphthalene;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline;toluene (CID 158696343) is nonapotassium;2,5-diphenyl-1,3,4-oxadiazole;ethane;hydride;1-methylnaphthalene;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline;toluene.
What is the SMILES notation for nonapotassium;2,5-diphenyl-1,3,4-oxadiazole;ethane;hydride;1-methylnaphthalene;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline;toluene?
The canonical SMILES for nonapotassium;2,5-diphenyl-1,3,4-oxadiazole;ethane;hydride;1-methylnaphthalene;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline;toluene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccc2ccccc12.Cc1ccccc1.[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].c1ccc(-c2nnc(-c3ccccc3)o2)cc1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1.
What is the InChIKey of nonapotassium;2,5-diphenyl-1,3,4-oxadiazole;ethane;hydride;1-methylnaphthalene;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline;toluene?
The InChIKey is RVXIWPLHJKZXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O.C11H10.2C9H7N.C8H6N2.C7H8.C5H5N.3C4H4N2.20C2H6.9K.9H/c1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12;1-9-5-4-7-10-6-2-3-8-11(9)10;2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)9-5-6-10-8;1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;20*1-2;;;;;;;;;;;;;;;;;;/h1-10H;2-8H,1H3;2*1-7H;1-6H;2-6H,1H3;1-5H;3*1-4H;20*1-2H3;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;9*+1;9*-1.
What are the key properties of nonapotassium;2,5-diphenyl-1,3,4-oxadiazole;ethane;hydride;1-methylnaphthalene;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline;toluene?
nonapotassium;2,5-diphenyl-1,3,4-oxadiazole;ethane;hydride;1-methylnaphthalene;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline;toluene has a molecular weight of 2126.79 g/mol, XLogP of 11.73, 2 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for nonapotassium;2,5-diphenyl-1,3,4-oxadiazole;ethane;hydride;1-methylnaphthalene;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline;toluene is sourced from PubChem (CID 158696343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).