4-ethyl-5-[(E)-[(5E)-4-ethyl-5-[[3-ethyl-5-[(Z)-(3-ethyl-5-methoxy-4-methylpyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-3-methylpyrrol-2-ylidene]methyl]-3-methylpyrrol-2-one

C32H40N4O2 — CID 177482670

IUPAC4-ethyl-5-[(E)-[(5E)-4-ethyl-5-[[3-ethyl-5-[(Z)-(3-ethyl-5-methoxy-4-methylpyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-3-methylpyrrol-2-ylidene]methyl]-3-methylpyrrol-2-one
SMILESCCC1=C(C)C(=O)N=C1/C=c1/[nH]/c(=C/c2[nH]c(/C=C3\N=C(OC)C(C)=C3CC)c(C)c2CC)c(CC)c1C
InChIInChI=1S/C32H40N4O2/c1-10-21-17(5)25(14-29-23(12-3)19(7)31(37)35-29)33-27(21)16-28-22(11-2)18(6)26(34-28)15-30-24(13-4)20(8)32(36-30)38-9/h14-16,33-34H,10-13H2,1-9H3/b25-14+,27-16+,30-15-
InChIKeyLZYUARRTVPMEQF-ZUJDBXPBSA-N
MW512.70 g/mol
LogP5.53
Rot. Bonds7

About 4-ethyl-5-[(E)-[(5E)-4-ethyl-5-[[3-ethyl-5-[(Z)-(3-ethyl-5-methoxy-4-methylpyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-3-methylpyrrol-2-ylidene]methyl]-3-methylpyrrol-2-one

4-ethyl-5-[(E)-[(5E)-4-ethyl-5-[[3-ethyl-5-[(Z)-(3-ethyl-5-methoxy-4-methylpyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-3-methylpyrrol-2-ylidene]methyl]-3-methylpyrrol-2-one (PubChem CID 177482670) has the molecular formula C32H40N4O2 and a molecular weight of 512.70 g/mol. Its IUPAC name is 4-ethyl-5-[(E)-[(5E)-4-ethyl-5-[[3-ethyl-5-[(Z)-(3-ethyl-5-methoxy-4-methylpyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-3-methylpyrrol-2-ylidene]methyl]-3-methylpyrrol-2-one.

Molecular Properties

Compound Name4-ethyl-5-[(E)-[(5E)-4-ethyl-5-[[3-ethyl-5-[(Z)-(3-ethyl-5-methoxy-4-methylpyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-3-methylpyrrol-2-ylidene]methyl]-3-methylpyrrol-2-one
PubChem CID177482670
Molecular FormulaC32H40N4O2
Molecular Weight512.70 g/mol
Exact Mass512.32
IUPAC Name4-ethyl-5-[(E)-[(5E)-4-ethyl-5-[[3-ethyl-5-[(Z)-(3-ethyl-5-methoxy-4-methylpyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-3-methylpyrrol-2-ylidene]methyl]-3-methylpyrrol-2-one
SMILESCCC1=C(C)C(=O)N=C1/C=c1/[nH]/c(=C/c2[nH]c(/C=C3\N=C(OC)C(C)=C3CC)c(C)c2CC)c(CC)c1C
InChIInChI=1S/C32H40N4O2/c1-10-21-17(5)25(14-29-23(12-3)19(7)31(37)35-29)33-27(21)16-28-22(11-2)18(6)26(34-28)15-30-24(13-4)20(8)32(36-30)38-9/h14-16,33-34H,10-13H2,1-9H3/b25-14+,27-16+,30-15-
InChIKeyLZYUARRTVPMEQF-ZUJDBXPBSA-N
XLogP5.53
TPSA82.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.70
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-5-[(E)-[(5E)-4-ethyl-5-[[3-ethyl-5-[(Z)-(3-ethyl-5-methoxy-4-methylpyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-3-methylpyrrol-2-ylidene]methyl]-3-methylpyrrol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-[(E)-[(5E)-4-ethyl-5-[[3-ethyl-5-[(Z)-(3-ethyl-5-methoxy-4-methylpyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-3-methylpyrrol-2-ylidene]methyl]-3-methylpyrrol-2-one?
The IUPAC name of 4-ethyl-5-[(E)-[(5E)-4-ethyl-5-[[3-ethyl-5-[(Z)-(3-ethyl-5-methoxy-4-methylpyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-3-methylpyrrol-2-ylidene]methyl]-3-methylpyrrol-2-one (CID 177482670) is 4-ethyl-5-[(E)-[(5E)-4-ethyl-5-[[3-ethyl-5-[(Z)-(3-ethyl-5-methoxy-4-methylpyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-3-methylpyrrol-2-ylidene]methyl]-3-methylpyrrol-2-one.
What is the SMILES notation for 4-ethyl-5-[(E)-[(5E)-4-ethyl-5-[[3-ethyl-5-[(Z)-(3-ethyl-5-methoxy-4-methylpyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-3-methylpyrrol-2-ylidene]methyl]-3-methylpyrrol-2-one?
The canonical SMILES for 4-ethyl-5-[(E)-[(5E)-4-ethyl-5-[[3-ethyl-5-[(Z)-(3-ethyl-5-methoxy-4-methylpyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-3-methylpyrrol-2-ylidene]methyl]-3-methylpyrrol-2-one is CCC1=C(C)C(=O)N=C1/C=c1/[nH]/c(=C/c2[nH]c(/C=C3\N=C(OC)C(C)=C3CC)c(C)c2CC)c(CC)c1C.
What is the InChIKey of 4-ethyl-5-[(E)-[(5E)-4-ethyl-5-[[3-ethyl-5-[(Z)-(3-ethyl-5-methoxy-4-methylpyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-3-methylpyrrol-2-ylidene]methyl]-3-methylpyrrol-2-one?
The InChIKey is LZYUARRTVPMEQF-ZUJDBXPBSA-N. The full InChI is InChI=1S/C32H40N4O2/c1-10-21-17(5)25(14-29-23(12-3)19(7)31(37)35-29)33-27(21)16-28-22(11-2)18(6)26(34-28)15-30-24(13-4)20(8)32(36-30)38-9/h14-16,33-34H,10-13H2,1-9H3/b25-14+,27-16+,30-15-.
What are the key properties of 4-ethyl-5-[(E)-[(5E)-4-ethyl-5-[[3-ethyl-5-[(Z)-(3-ethyl-5-methoxy-4-methylpyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-3-methylpyrrol-2-ylidene]methyl]-3-methylpyrrol-2-one?
4-ethyl-5-[(E)-[(5E)-4-ethyl-5-[[3-ethyl-5-[(Z)-(3-ethyl-5-methoxy-4-methylpyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-3-methylpyrrol-2-ylidene]methyl]-3-methylpyrrol-2-one has a molecular weight of 512.70 g/mol, XLogP of 5.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-[(E)-[(5E)-4-ethyl-5-[[3-ethyl-5-[(Z)-(3-ethyl-5-methoxy-4-methylpyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-3-methylpyrrol-2-ylidene]methyl]-3-methylpyrrol-2-one is sourced from PubChem (CID 177482670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).