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

C33H44N4 — CID 11578335

IUPAC(2Z)-4-ethyl-2-[[4-ethyl-5-[[4-ethyl-2-[(Z)-(4-ethyl-3,5-dimethylpyrrol-2-ylidene)methyl]-3-methyl-2H-pyrrol-5-yl]methyl]-3-methyl-2H-pyrrol-2-yl]methylidene]-3,5-dimethylpyrrole
SMILESCCC1=C(C)/C(=C/C2N=C(CC3=NC(/C=C4\N=C(C)C(CC)=C4C)C(C)=C3CC)C(CC)=C2C)N=C1C
InChIInChI=1S/C33H44N4/c1-11-24-18(5)28(34-22(24)9)15-30-20(7)26(13-3)32(36-30)17-33-27(14-4)21(8)31(37-33)16-29-19(6)25(12-2)23(10)35-29/h15-16,30-31H,11-14,17H2,1-10H3/b28-15-,29-16-
InChIKeyXHUGMKMQQMFQCY-FLZZTMJYSA-N
MW496.74 g/mol
LogP8.65
Rot. Bonds8

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

(2Z)-4-ethyl-2-[[4-ethyl-5-[[4-ethyl-2-[(Z)-(4-ethyl-3,5-dimethylpyrrol-2-ylidene)methyl]-3-methyl-2H-pyrrol-5-yl]methyl]-3-methyl-2H-pyrrol-2-yl]methylidene]-3,5-dimethylpyrrole (PubChem CID 11578335) has the molecular formula C33H44N4 and a molecular weight of 496.74 g/mol. Its IUPAC name is (2Z)-4-ethyl-2-[[4-ethyl-5-[[4-ethyl-2-[(Z)-(4-ethyl-3,5-dimethylpyrrol-2-ylidene)methyl]-3-methyl-2H-pyrrol-5-yl]methyl]-3-methyl-2H-pyrrol-2-yl]methylidene]-3,5-dimethylpyrrole.

Molecular Properties

Compound Name(2Z)-4-ethyl-2-[[4-ethyl-5-[[4-ethyl-2-[(Z)-(4-ethyl-3,5-dimethylpyrrol-2-ylidene)methyl]-3-methyl-2H-pyrrol-5-yl]methyl]-3-methyl-2H-pyrrol-2-yl]methylidene]-3,5-dimethylpyrrole
PubChem CID11578335
Molecular FormulaC33H44N4
Molecular Weight496.74 g/mol
Exact Mass496.36
IUPAC Name(2Z)-4-ethyl-2-[[4-ethyl-5-[[4-ethyl-2-[(Z)-(4-ethyl-3,5-dimethylpyrrol-2-ylidene)methyl]-3-methyl-2H-pyrrol-5-yl]methyl]-3-methyl-2H-pyrrol-2-yl]methylidene]-3,5-dimethylpyrrole
SMILESCCC1=C(C)/C(=C/C2N=C(CC3=NC(/C=C4\N=C(C)C(CC)=C4C)C(C)=C3CC)C(CC)=C2C)N=C1C
InChIInChI=1S/C33H44N4/c1-11-24-18(5)28(34-22(24)9)15-30-20(7)26(13-3)32(36-30)17-33-27(14-4)21(8)31(37-33)16-29-19(6)25(12-2)23(10)35-29/h15-16,30-31H,11-14,17H2,1-10H3/b28-15-,29-16-
InChIKeyXHUGMKMQQMFQCY-FLZZTMJYSA-N
XLogP8.65
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.74
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2Z)-4-ethyl-2-[[4-ethyl-5-[[4-ethyl-2-[(Z)-(4-ethyl-3,5-dimethylpyrrol-2-ylidene)methyl]-3-methyl-2H-pyrrol-5-yl]methyl]-3-methyl-2H-pyrrol-2-yl]methylidene]-3,5-dimethylpyrrole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2Z)-4-ethyl-2-[[4-ethyl-5-[[4-ethyl-2-[(Z)-(4-ethyl-3,5-dimethylpyrrol-2-ylidene)methyl]-3-methyl-2H-pyrrol-5-yl]methyl]-3-methyl-2H-pyrrol-2-yl]methylidene]-3,5-dimethylpyrrole?
The IUPAC name of (2Z)-4-ethyl-2-[[4-ethyl-5-[[4-ethyl-2-[(Z)-(4-ethyl-3,5-dimethylpyrrol-2-ylidene)methyl]-3-methyl-2H-pyrrol-5-yl]methyl]-3-methyl-2H-pyrrol-2-yl]methylidene]-3,5-dimethylpyrrole (CID 11578335) is (2Z)-4-ethyl-2-[[4-ethyl-5-[[4-ethyl-2-[(Z)-(4-ethyl-3,5-dimethylpyrrol-2-ylidene)methyl]-3-methyl-2H-pyrrol-5-yl]methyl]-3-methyl-2H-pyrrol-2-yl]methylidene]-3,5-dimethylpyrrole.
What is the SMILES notation for (2Z)-4-ethyl-2-[[4-ethyl-5-[[4-ethyl-2-[(Z)-(4-ethyl-3,5-dimethylpyrrol-2-ylidene)methyl]-3-methyl-2H-pyrrol-5-yl]methyl]-3-methyl-2H-pyrrol-2-yl]methylidene]-3,5-dimethylpyrrole?
The canonical SMILES for (2Z)-4-ethyl-2-[[4-ethyl-5-[[4-ethyl-2-[(Z)-(4-ethyl-3,5-dimethylpyrrol-2-ylidene)methyl]-3-methyl-2H-pyrrol-5-yl]methyl]-3-methyl-2H-pyrrol-2-yl]methylidene]-3,5-dimethylpyrrole is CCC1=C(C)/C(=C/C2N=C(CC3=NC(/C=C4\N=C(C)C(CC)=C4C)C(C)=C3CC)C(CC)=C2C)N=C1C.
What is the InChIKey of (2Z)-4-ethyl-2-[[4-ethyl-5-[[4-ethyl-2-[(Z)-(4-ethyl-3,5-dimethylpyrrol-2-ylidene)methyl]-3-methyl-2H-pyrrol-5-yl]methyl]-3-methyl-2H-pyrrol-2-yl]methylidene]-3,5-dimethylpyrrole?
The InChIKey is XHUGMKMQQMFQCY-FLZZTMJYSA-N. The full InChI is InChI=1S/C33H44N4/c1-11-24-18(5)28(34-22(24)9)15-30-20(7)26(13-3)32(36-30)17-33-27(14-4)21(8)31(37-33)16-29-19(6)25(12-2)23(10)35-29/h15-16,30-31H,11-14,17H2,1-10H3/b28-15-,29-16-.
What are the key properties of (2Z)-4-ethyl-2-[[4-ethyl-5-[[4-ethyl-2-[(Z)-(4-ethyl-3,5-dimethylpyrrol-2-ylidene)methyl]-3-methyl-2H-pyrrol-5-yl]methyl]-3-methyl-2H-pyrrol-2-yl]methylidene]-3,5-dimethylpyrrole?
(2Z)-4-ethyl-2-[[4-ethyl-5-[[4-ethyl-2-[(Z)-(4-ethyl-3,5-dimethylpyrrol-2-ylidene)methyl]-3-methyl-2H-pyrrol-5-yl]methyl]-3-methyl-2H-pyrrol-2-yl]methylidene]-3,5-dimethylpyrrole has a molecular weight of 496.74 g/mol, XLogP of 8.65, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-ethyl-2-[[4-ethyl-5-[[4-ethyl-2-[(Z)-(4-ethyl-3,5-dimethylpyrrol-2-ylidene)methyl]-3-methyl-2H-pyrrol-5-yl]methyl]-3-methyl-2H-pyrrol-2-yl]methylidene]-3,5-dimethylpyrrole is sourced from PubChem (CID 11578335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).