ethane;2-[4-[(Z)-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-(4-ethyl-3,5-dimethylpyrrol-2-ylidene)methyl]phenyl]pyridine

C32H43N3 — CID 142492610

IUPACethane;2-[4-[(Z)-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-(4-ethyl-3,5-dimethylpyrrol-2-ylidene)methyl]phenyl]pyridine
SMILESCC.CC.CCC1=C(C)/C(=C(\c2ccc(-c3ccccn3)cc2)c2[nH]c(C)c(CC)c2C)N=C1C
InChIInChI=1S/C28H31N3.2C2H6/c1-7-23-17(3)27(30-19(23)5)26(28-18(4)24(8-2)20(6)31-28)22-14-12-21(13-15-22)25-11-9-10-16-29-25;2*1-2/h9-16,30H,7-8H2,1-6H3;2*1-2H3/b28-26-;;
InChIKeyWQGRKABITNYAEP-MDKUBGCJSA-N
MW469.72 g/mol
LogP9.27
Rot. Bonds5

About ethane;2-[4-[(Z)-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-(4-ethyl-3,5-dimethylpyrrol-2-ylidene)methyl]phenyl]pyridine

ethane;2-[4-[(Z)-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-(4-ethyl-3,5-dimethylpyrrol-2-ylidene)methyl]phenyl]pyridine (PubChem CID 142492610) has the molecular formula C32H43N3 and a molecular weight of 469.72 g/mol. Its IUPAC name is ethane;2-[4-[(Z)-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-(4-ethyl-3,5-dimethylpyrrol-2-ylidene)methyl]phenyl]pyridine.

Molecular Properties

Compound Nameethane;2-[4-[(Z)-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-(4-ethyl-3,5-dimethylpyrrol-2-ylidene)methyl]phenyl]pyridine
PubChem CID142492610
Molecular FormulaC32H43N3
Molecular Weight469.72 g/mol
Exact Mass469.35
IUPAC Nameethane;2-[4-[(Z)-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-(4-ethyl-3,5-dimethylpyrrol-2-ylidene)methyl]phenyl]pyridine
SMILESCC.CC.CCC1=C(C)/C(=C(\c2ccc(-c3ccccn3)cc2)c2[nH]c(C)c(CC)c2C)N=C1C
InChIInChI=1S/C28H31N3.2C2H6/c1-7-23-17(3)27(30-19(23)5)26(28-18(4)24(8-2)20(6)31-28)22-14-12-21(13-15-22)25-11-9-10-16-29-25;2*1-2/h9-16,30H,7-8H2,1-6H3;2*1-2H3/b28-26-;;
InChIKeyWQGRKABITNYAEP-MDKUBGCJSA-N
XLogP9.27
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.72
LogP ≤ 59.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(Z)-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-(4-ethyl-3,5-dimethylpyrrol-2-ylidene)methyl]benzonitrile
CID 153318043
2-[(4-tert-butylphenyl)-(4-fluoro-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3,5-dimethylpyrrole
CID 164940620
(2E)-2-[(3,4-diethyl-5-methyl-1H-pyrrol-2-yl)-(4-methylphenyl)methylidene]-5-[(5E)-5-[(3,4-diethyl-5-methyl-1H-pyrrol-2-yl)-(4-methylphenyl)methylidene]-3,4-diethylpyrrol-2-yl]-3,4-diethylpyrrole
CID 177408457
4,6-dichloro-5-ethyl-2-pyridin-2-ylpyrimidine
CID 63613489
2-(4-methylphenyl)pyridine;silver
CID 121395993
hexyl 4-pyridin-2-ylbenzoate
CID 132598707
ethane;2-(4-propylphenyl)pyridine
CID 158701503
iridium;tris(2-[4-(4-methylphenyl)phenyl]pyridine)
CID 173084530
2-[4-(bromomethyl)phenyl]pyridine;2-(4-methylphenyl)pyridine
CID 175312241
ethyl 5-(4-pyridin-2-ylphenyl)-2H-triazole-4-carboxylate
CID 169399077
N-methyl-4-pyridin-2-ylbenzamide
CID 110464841
2-[1-(4-pyridin-2-ylphenyl)ethylideneamino]oxyethyl methanesulfonate
CID 139790920

Frequently Asked Questions

What is the IUPAC name of ethane;2-[4-[(Z)-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-(4-ethyl-3,5-dimethylpyrrol-2-ylidene)methyl]phenyl]pyridine?
The IUPAC name of ethane;2-[4-[(Z)-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-(4-ethyl-3,5-dimethylpyrrol-2-ylidene)methyl]phenyl]pyridine (CID 142492610) is ethane;2-[4-[(Z)-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-(4-ethyl-3,5-dimethylpyrrol-2-ylidene)methyl]phenyl]pyridine.
What is the SMILES notation for ethane;2-[4-[(Z)-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-(4-ethyl-3,5-dimethylpyrrol-2-ylidene)methyl]phenyl]pyridine?
The canonical SMILES for ethane;2-[4-[(Z)-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-(4-ethyl-3,5-dimethylpyrrol-2-ylidene)methyl]phenyl]pyridine is CC.CC.CCC1=C(C)/C(=C(\c2ccc(-c3ccccn3)cc2)c2[nH]c(C)c(CC)c2C)N=C1C.
What is the InChIKey of ethane;2-[4-[(Z)-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-(4-ethyl-3,5-dimethylpyrrol-2-ylidene)methyl]phenyl]pyridine?
The InChIKey is WQGRKABITNYAEP-MDKUBGCJSA-N. The full InChI is InChI=1S/C28H31N3.2C2H6/c1-7-23-17(3)27(30-19(23)5)26(28-18(4)24(8-2)20(6)31-28)22-14-12-21(13-15-22)25-11-9-10-16-29-25;2*1-2/h9-16,30H,7-8H2,1-6H3;2*1-2H3/b28-26-;;.
What are the key properties of ethane;2-[4-[(Z)-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-(4-ethyl-3,5-dimethylpyrrol-2-ylidene)methyl]phenyl]pyridine?
ethane;2-[4-[(Z)-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-(4-ethyl-3,5-dimethylpyrrol-2-ylidene)methyl]phenyl]pyridine has a molecular weight of 469.72 g/mol, XLogP of 9.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[4-[(Z)-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-(4-ethyl-3,5-dimethylpyrrol-2-ylidene)methyl]phenyl]pyridine is sourced from PubChem (CID 142492610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).