4-[3,5-bis(3,6-dipyridin-2-ylpyridazin-4-yl)phenyl]-3,6-dipyridin-2-ylpyridazine;ethoxyethane

C52H40N12O — CID 139194398

IUPAC4-[3,5-bis(3,6-dipyridin-2-ylpyridazin-4-yl)phenyl]-3,6-dipyridin-2-ylpyridazine;ethoxyethane
SMILESCCOCC.c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccn5)nnc4-c4ccccn4)cc(-c4cc(-c5ccccn5)nnc4-c4ccccn4)c3)c(-c3ccccn3)nn2)nc1
InChIInChI=1S/C48H30N12.C4H10O/c1-7-19-49-37(13-1)43-28-34(46(58-55-43)40-16-4-10-22-52-40)31-25-32(35-29-44(38-14-2-8-20-50-38)56-59-47(35)41-17-5-11-23-53-41)27-33(26-31)36-30-45(39-15-3-9-21-51-39)57-60-48(36)42-18-6-12-24-54-42;1-3-5-4-2/h1-30H;3-4H2,1-2H3
InChIKeyRBEVEVDUZVKLQC-UHFFFAOYSA-N
MW848.98 g/mol
LogP10.47
Rot. Bonds11

About 4-[3,5-bis(3,6-dipyridin-2-ylpyridazin-4-yl)phenyl]-3,6-dipyridin-2-ylpyridazine;ethoxyethane

4-[3,5-bis(3,6-dipyridin-2-ylpyridazin-4-yl)phenyl]-3,6-dipyridin-2-ylpyridazine;ethoxyethane (PubChem CID 139194398) has the molecular formula C52H40N12O and a molecular weight of 848.98 g/mol. Its IUPAC name is 4-[3,5-bis(3,6-dipyridin-2-ylpyridazin-4-yl)phenyl]-3,6-dipyridin-2-ylpyridazine;ethoxyethane.

Molecular Properties

Compound Name4-[3,5-bis(3,6-dipyridin-2-ylpyridazin-4-yl)phenyl]-3,6-dipyridin-2-ylpyridazine;ethoxyethane
PubChem CID139194398
Molecular FormulaC52H40N12O
Molecular Weight848.98 g/mol
Exact Mass848.34
IUPAC Name4-[3,5-bis(3,6-dipyridin-2-ylpyridazin-4-yl)phenyl]-3,6-dipyridin-2-ylpyridazine;ethoxyethane
SMILESCCOCC.c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccn5)nnc4-c4ccccn4)cc(-c4cc(-c5ccccn5)nnc4-c4ccccn4)c3)c(-c3ccccn3)nn2)nc1
InChIInChI=1S/C48H30N12.C4H10O/c1-7-19-49-37(13-1)43-28-34(46(58-55-43)40-16-4-10-22-52-40)31-25-32(35-29-44(38-14-2-8-20-50-38)56-59-47(35)41-17-5-11-23-53-41)27-33(26-31)36-30-45(39-15-3-9-21-51-39)57-60-48(36)42-18-6-12-24-54-42;1-3-5-4-2/h1-30H;3-4H2,1-2H3
InChIKeyRBEVEVDUZVKLQC-UHFFFAOYSA-N
XLogP10.47
TPSA163.91 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500848.98
LogP ≤ 510.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 4-[3,5-bis(3,6-dipyridin-2-ylpyridazin-4-yl)phenyl]-3,6-dipyridin-2-ylpyridazine;ethoxyethane with MolForge

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Related Compounds

4-butyl-3,6-dipyridin-2-ylpyridazine
CID 6418950
propane;2-pyridin-2-ylpyridine
CID 158168510
2-[3-[2-[2-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5-pyridin-2-ylphenyl]pyridine
CID 71534257
4-benzyl-3,6-dipyridin-2-ylpyridazine
CID 132577194
methyl 3,6-dipyridin-2-ylpyridazine-4-carboxylate
CID 6417972
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-(3,5-diphenylpyrrol-1-id-2-yl)pyridine;ethoxyethane;gold(3+);dicyanide
CID 139143531
4,5-dipropyl-3,6-dipyridin-2-ylpyridazine
CID 58250586
4-(phosphorosomethyl)-3,6-dipyridin-2-ylpyridazine
CID 122674343
bis(4-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine);tetrakis(4-[3-(2,6-dipyridin-2-yl-4-pyridinyl)-5-methylphenyl]-2,6-dipyridin-2-ylpyridine);propane;ruthenium
CID 157164655
iridium;2-pyridin-2-ylpyridine;ruthenium
CID 174707743

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis(3,6-dipyridin-2-ylpyridazin-4-yl)phenyl]-3,6-dipyridin-2-ylpyridazine;ethoxyethane?
The IUPAC name of 4-[3,5-bis(3,6-dipyridin-2-ylpyridazin-4-yl)phenyl]-3,6-dipyridin-2-ylpyridazine;ethoxyethane (CID 139194398) is 4-[3,5-bis(3,6-dipyridin-2-ylpyridazin-4-yl)phenyl]-3,6-dipyridin-2-ylpyridazine;ethoxyethane.
What is the SMILES notation for 4-[3,5-bis(3,6-dipyridin-2-ylpyridazin-4-yl)phenyl]-3,6-dipyridin-2-ylpyridazine;ethoxyethane?
The canonical SMILES for 4-[3,5-bis(3,6-dipyridin-2-ylpyridazin-4-yl)phenyl]-3,6-dipyridin-2-ylpyridazine;ethoxyethane is CCOCC.c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccn5)nnc4-c4ccccn4)cc(-c4cc(-c5ccccn5)nnc4-c4ccccn4)c3)c(-c3ccccn3)nn2)nc1.
What is the InChIKey of 4-[3,5-bis(3,6-dipyridin-2-ylpyridazin-4-yl)phenyl]-3,6-dipyridin-2-ylpyridazine;ethoxyethane?
The InChIKey is RBEVEVDUZVKLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N12.C4H10O/c1-7-19-49-37(13-1)43-28-34(46(58-55-43)40-16-4-10-22-52-40)31-25-32(35-29-44(38-14-2-8-20-50-38)56-59-47(35)41-17-5-11-23-53-41)27-33(26-31)36-30-45(39-15-3-9-21-51-39)57-60-48(36)42-18-6-12-24-54-42;1-3-5-4-2/h1-30H;3-4H2,1-2H3.
What are the key properties of 4-[3,5-bis(3,6-dipyridin-2-ylpyridazin-4-yl)phenyl]-3,6-dipyridin-2-ylpyridazine;ethoxyethane?
4-[3,5-bis(3,6-dipyridin-2-ylpyridazin-4-yl)phenyl]-3,6-dipyridin-2-ylpyridazine;ethoxyethane has a molecular weight of 848.98 g/mol, XLogP of 10.47, 11 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis(3,6-dipyridin-2-ylpyridazin-4-yl)phenyl]-3,6-dipyridin-2-ylpyridazine;ethoxyethane is sourced from PubChem (CID 139194398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).