2-(3,5-diphenylpyrrol-1-id-2-yl)pyridine;ethoxyethane;gold(3+);dicyanide

C27H25AuN4O — CID 139143531

IUPAC2-(3,5-diphenylpyrrol-1-id-2-yl)pyridine;ethoxyethane;gold(3+);dicyanide
SMILESCCOCC.[Au+3].[C-]#N.[C-]#N.c1ccc(-c2cc(-c3ccccc3)c(-c3ccccn3)[n-]2)cc1
InChIInChI=1S/C21H15N2.C4H10O.2CN.Au/c1-3-9-16(10-4-1)18-15-20(17-11-5-2-6-12-17)23-21(18)19-13-7-8-14-22-19;1-3-5-4-2;2*1-2;/h1-15H;3-4H2,1-2H3;;;/q-1;;2*-1;+3
InChIKeyFSPSHZFXUAQPGO-UHFFFAOYSA-N
MW618.49 g/mol
LogP6.27
Rot. Bonds5

About 2-(3,5-diphenylpyrrol-1-id-2-yl)pyridine;ethoxyethane;gold(3+);dicyanide

2-(3,5-diphenylpyrrol-1-id-2-yl)pyridine;ethoxyethane;gold(3+);dicyanide (PubChem CID 139143531) has the molecular formula C27H25AuN4O and a molecular weight of 618.49 g/mol. Its IUPAC name is 2-(3,5-diphenylpyrrol-1-id-2-yl)pyridine;ethoxyethane;gold(3+);dicyanide.

Molecular Properties

Compound Name2-(3,5-diphenylpyrrol-1-id-2-yl)pyridine;ethoxyethane;gold(3+);dicyanide
PubChem CID139143531
Molecular FormulaC27H25AuN4O
Molecular Weight618.49 g/mol
Exact Mass618.17
IUPAC Name2-(3,5-diphenylpyrrol-1-id-2-yl)pyridine;ethoxyethane;gold(3+);dicyanide
SMILESCCOCC.[Au+3].[C-]#N.[C-]#N.c1ccc(-c2cc(-c3ccccc3)c(-c3ccccn3)[n-]2)cc1
InChIInChI=1S/C21H15N2.C4H10O.2CN.Au/c1-3-9-16(10-4-1)18-15-20(17-11-5-2-6-12-17)23-21(18)19-13-7-8-14-22-19;1-3-5-4-2;2*1-2;/h1-15H;3-4H2,1-2H3;;;/q-1;;2*-1;+3
InChIKeyFSPSHZFXUAQPGO-UHFFFAOYSA-N
XLogP6.27
TPSA83.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.49
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

4-[3,5-bis(3,6-dipyridin-2-ylpyridazin-4-yl)phenyl]-3,6-dipyridin-2-ylpyridazine;ethoxyethane
CID 139194398
2-(4-methyl-2-phenylphenyl)pyridine
CID 20606677
1,1'-biphenyl;ethanol;ethoxyethane
CID 70401504
2-(4-methyl-5-phenyl-2-pyridin-2-ylphenyl)pyridine
CID 146397355
propane;2-pyridin-2-ylpyridine
CID 158168510
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
1,1'-biphenyl;ethene;ethoxyethane
CID 155168221
5,8-diphenyl-2,3-dipyridin-2-ylquinoxaline
CID 58161745
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
acetonitrile;bis(2,6-dipyridin-2-ylpyridine);ethoxyethane;propan-2-one;pyridine;2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;bis(ruthenium(2+));trihexafluorophosphate
CID 139136940
2-[2,3-bis[4-[2,5-dipyridin-2-yl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]-6-[4-[2-[4-[3-[4-[2,5-dipyridin-2-yl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]-4-[4-[2,5-dipyridin-2-yl-4-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-3-[4-(2,3,4,5-tetraphenyl-6-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2,5-dipyridin-2-ylphenyl]phenyl]-4-(4-methylphenyl)-3,6-dipyridin-2-ylphenyl]phenyl]-4-pyridin-2-ylphenyl]pyridine
CID 58114875

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diphenylpyrrol-1-id-2-yl)pyridine;ethoxyethane;gold(3+);dicyanide?
The IUPAC name of 2-(3,5-diphenylpyrrol-1-id-2-yl)pyridine;ethoxyethane;gold(3+);dicyanide (CID 139143531) is 2-(3,5-diphenylpyrrol-1-id-2-yl)pyridine;ethoxyethane;gold(3+);dicyanide.
What is the SMILES notation for 2-(3,5-diphenylpyrrol-1-id-2-yl)pyridine;ethoxyethane;gold(3+);dicyanide?
The canonical SMILES for 2-(3,5-diphenylpyrrol-1-id-2-yl)pyridine;ethoxyethane;gold(3+);dicyanide is CCOCC.[Au+3].[C-]#N.[C-]#N.c1ccc(-c2cc(-c3ccccc3)c(-c3ccccn3)[n-]2)cc1.
What is the InChIKey of 2-(3,5-diphenylpyrrol-1-id-2-yl)pyridine;ethoxyethane;gold(3+);dicyanide?
The InChIKey is FSPSHZFXUAQPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N2.C4H10O.2CN.Au/c1-3-9-16(10-4-1)18-15-20(17-11-5-2-6-12-17)23-21(18)19-13-7-8-14-22-19;1-3-5-4-2;2*1-2;/h1-15H;3-4H2,1-2H3;;;/q-1;;2*-1;+3.
What are the key properties of 2-(3,5-diphenylpyrrol-1-id-2-yl)pyridine;ethoxyethane;gold(3+);dicyanide?
2-(3,5-diphenylpyrrol-1-id-2-yl)pyridine;ethoxyethane;gold(3+);dicyanide has a molecular weight of 618.49 g/mol, XLogP of 6.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diphenylpyrrol-1-id-2-yl)pyridine;ethoxyethane;gold(3+);dicyanide is sourced from PubChem (CID 139143531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).