(2Z)-2-[(3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-4-[5-[(5E)-5-[(3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrol-3-yl]pentyl]-3,5-dimethylpyrrole

C33H44N4 — CID 177453173

IUPAC(2Z)-2-[(3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-4-[5-[(5E)-5-[(3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrol-3-yl]pentyl]-3,5-dimethylpyrrole
SMILESCCc1c(C)c[nH]c1/C=C1\N=C(C)C(CCCCCC2=C(C)/C(=C\c3[nH]cc(C)c3CC)N=C2C)=C1C
InChIInChI=1S/C33H44N4/c1-9-26-20(3)18-34-32(26)16-30-22(5)28(24(7)36-30)14-12-11-13-15-29-23(6)31(37-25(29)8)17-33-27(10-2)21(4)19-35-33/h16-19,34-35H,9-15H2,1-8H3/b30-16-,31-17+
InChIKeyGLCDEYCGVKRNBP-RQCICOGXSA-N
MW496.74 g/mol
LogP9.00
Rot. Bonds10

About (2Z)-2-[(3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-4-[5-[(5E)-5-[(3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrol-3-yl]pentyl]-3,5-dimethylpyrrole

(2Z)-2-[(3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-4-[5-[(5E)-5-[(3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrol-3-yl]pentyl]-3,5-dimethylpyrrole (PubChem CID 177453173) has the molecular formula C33H44N4 and a molecular weight of 496.74 g/mol. Its IUPAC name is (2Z)-2-[(3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-4-[5-[(5E)-5-[(3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrol-3-yl]pentyl]-3,5-dimethylpyrrole.

Molecular Properties

Compound Name(2Z)-2-[(3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-4-[5-[(5E)-5-[(3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrol-3-yl]pentyl]-3,5-dimethylpyrrole
PubChem CID177453173
Molecular FormulaC33H44N4
Molecular Weight496.74 g/mol
Exact Mass496.36
IUPAC Name(2Z)-2-[(3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-4-[5-[(5E)-5-[(3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrol-3-yl]pentyl]-3,5-dimethylpyrrole
SMILESCCc1c(C)c[nH]c1/C=C1\N=C(C)C(CCCCCC2=C(C)/C(=C\c3[nH]cc(C)c3CC)N=C2C)=C1C
InChIInChI=1S/C33H44N4/c1-9-26-20(3)18-34-32(26)16-30-22(5)28(24(7)36-30)14-12-11-13-15-29-23(6)31(37-25(29)8)17-33-27(10-2)21(4)19-35-33/h16-19,34-35H,9-15H2,1-8H3/b30-16-,31-17+
InChIKeyGLCDEYCGVKRNBP-RQCICOGXSA-N
XLogP9.00
TPSA56.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.74
LogP ≤ 59.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-[(3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-4-[2-[(5E)-5-[(3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrol-3-yl]ethyl]-3,5-dimethylpyrrole
CID 177388577
(2Z)-2-[(5-bromo-3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3,5-dimethylpyrrole
CID 138962845
methyl 3-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrol-3-yl]propanoate
CID 11667758
2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4,5-trimethylpyrrole;hydrobromide
CID 132760546
benzyl 4-ethyl-5-[(Z)-(4-ethyl-3,5-dimethylpyrrol-2-ylidene)methyl]-3-methyl-1H-pyrrole-2-carboxylate
CID 177499435
3-ethyl-2,4-dimethyl-5-[[5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]pyrrole
CID 135740410
(5Z)-2-(dibromomethyl)-5-[[5-(dibromomethyl)-4-ethyl-3-methyl-1H-pyrrol-2-yl]methylidene]-3-ethyl-4-methylpyrrole
CID 5387607
(2Z)-2-[(5-bromo-3,4-diethyl-1H-pyrrol-2-yl)methylidene]-5-[(Z)-[(5Z)-5-[(5-bromo-3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3-ethyl-4-methylpyrrol-2-ylidene]methyl]-4-ethyl-3-methylpyrrole
CID 59105759
3-[5-[(Z)-[4-[[(5E)-5-[[4-(2-carboxyethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2,4-dimethylpyrrol-3-yl]methyl]-3,5-dimethylpyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid
CID 177403983
3-ethyl-4-methyl-1H-pyrrol-2-ol
CID 45092467
2-ethoxy-3-ethyl-4-methyl-1H-pyrrole
CID 130005479
(5E)-5-[(3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrol-2-one
CID 10538284

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-4-[5-[(5E)-5-[(3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrol-3-yl]pentyl]-3,5-dimethylpyrrole?
The IUPAC name of (2Z)-2-[(3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-4-[5-[(5E)-5-[(3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrol-3-yl]pentyl]-3,5-dimethylpyrrole (CID 177453173) is (2Z)-2-[(3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-4-[5-[(5E)-5-[(3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrol-3-yl]pentyl]-3,5-dimethylpyrrole.
What is the SMILES notation for (2Z)-2-[(3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-4-[5-[(5E)-5-[(3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrol-3-yl]pentyl]-3,5-dimethylpyrrole?
The canonical SMILES for (2Z)-2-[(3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-4-[5-[(5E)-5-[(3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrol-3-yl]pentyl]-3,5-dimethylpyrrole is CCc1c(C)c[nH]c1/C=C1\N=C(C)C(CCCCCC2=C(C)/C(=C\c3[nH]cc(C)c3CC)N=C2C)=C1C.
What is the InChIKey of (2Z)-2-[(3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-4-[5-[(5E)-5-[(3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrol-3-yl]pentyl]-3,5-dimethylpyrrole?
The InChIKey is GLCDEYCGVKRNBP-RQCICOGXSA-N. The full InChI is InChI=1S/C33H44N4/c1-9-26-20(3)18-34-32(26)16-30-22(5)28(24(7)36-30)14-12-11-13-15-29-23(6)31(37-25(29)8)17-33-27(10-2)21(4)19-35-33/h16-19,34-35H,9-15H2,1-8H3/b30-16-,31-17+.
What are the key properties of (2Z)-2-[(3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-4-[5-[(5E)-5-[(3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrol-3-yl]pentyl]-3,5-dimethylpyrrole?
(2Z)-2-[(3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-4-[5-[(5E)-5-[(3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrol-3-yl]pentyl]-3,5-dimethylpyrrole has a molecular weight of 496.74 g/mol, XLogP of 9.00, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-4-[5-[(5E)-5-[(3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrol-3-yl]pentyl]-3,5-dimethylpyrrole is sourced from PubChem (CID 177453173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).