2-[(Z)-(3,4-diethylpyrrol-2-ylidene)methyl]-5-[(Z)-[(5Z)-5-[(3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3-ethyl-4-methylpyrrol-2-ylidene]methyl]-4-ethyl-3-methyl-1H-pyrrole

C33H44N4 — CID 23404508

IUPAC2-[(Z)-(3,4-diethylpyrrol-2-ylidene)methyl]-5-[(Z)-[(5Z)-5-[(3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3-ethyl-4-methylpyrrol-2-ylidene]methyl]-4-ethyl-3-methyl-1H-pyrrole
SMILESCCC1=C(CC)/C(=C/c2[nH]c(/C=c3\[nH]/c(=C\c4[nH]cc(CC)c4CC)c(C)c3CC)c(CC)c2C)N=C1
InChIInChI=1S/C33H44N4/c1-9-22-18-34-30(26(22)13-5)15-28-20(7)24(11-3)32(36-28)17-33-25(12-4)21(8)29(37-33)16-31-27(14-6)23(10-2)19-35-31/h15-19,34,36-37H,9-14H2,1-8H3/b28-15-,31-16-,32-17-
InChIKeyMSFCHODXSPVGED-WTBZLJPKSA-N
MW496.74 g/mol
LogP6.74
Rot. Bonds9

About 2-[(Z)-(3,4-diethylpyrrol-2-ylidene)methyl]-5-[(Z)-[(5Z)-5-[(3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3-ethyl-4-methylpyrrol-2-ylidene]methyl]-4-ethyl-3-methyl-1H-pyrrole

2-[(Z)-(3,4-diethylpyrrol-2-ylidene)methyl]-5-[(Z)-[(5Z)-5-[(3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3-ethyl-4-methylpyrrol-2-ylidene]methyl]-4-ethyl-3-methyl-1H-pyrrole (PubChem CID 23404508) has the molecular formula C33H44N4 and a molecular weight of 496.74 g/mol. Its IUPAC name is 2-[(Z)-(3,4-diethylpyrrol-2-ylidene)methyl]-5-[(Z)-[(5Z)-5-[(3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3-ethyl-4-methylpyrrol-2-ylidene]methyl]-4-ethyl-3-methyl-1H-pyrrole.

Molecular Properties

Compound Name2-[(Z)-(3,4-diethylpyrrol-2-ylidene)methyl]-5-[(Z)-[(5Z)-5-[(3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3-ethyl-4-methylpyrrol-2-ylidene]methyl]-4-ethyl-3-methyl-1H-pyrrole
PubChem CID23404508
Molecular FormulaC33H44N4
Molecular Weight496.74 g/mol
Exact Mass496.36
IUPAC Name2-[(Z)-(3,4-diethylpyrrol-2-ylidene)methyl]-5-[(Z)-[(5Z)-5-[(3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3-ethyl-4-methylpyrrol-2-ylidene]methyl]-4-ethyl-3-methyl-1H-pyrrole
SMILESCCC1=C(CC)/C(=C/c2[nH]c(/C=c3\[nH]/c(=C\c4[nH]cc(CC)c4CC)c(C)c3CC)c(CC)c2C)N=C1
InChIInChI=1S/C33H44N4/c1-9-22-18-34-30(26(22)13-5)15-28-20(7)24(11-3)32(36-28)17-33-25(12-4)21(8)29(37-33)16-31-27(14-6)23(10-2)19-35-31/h15-19,34,36-37H,9-14H2,1-8H3/b28-15-,31-16-,32-17-
InChIKeyMSFCHODXSPVGED-WTBZLJPKSA-N
XLogP6.74
TPSA59.73 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.74
LogP ≤ 56.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Analyze 2-[(Z)-(3,4-diethylpyrrol-2-ylidene)methyl]-5-[(Z)-[(5Z)-5-[(3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3-ethyl-4-methylpyrrol-2-ylidene]methyl]-4-ethyl-3-methyl-1H-pyrrole with MolForge

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Related Compounds

methyl 2-[2-[[5-[(3,4-diethylpyrrol-2-ylidene)methyl]-3-(2-methoxy-2-oxoethyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(3,4-diethyl-1H-pyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]acetate
CID 90827441
methyl 3-[2-[[5-[(3,4-diethylpyrrol-2-ylidene)methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(3,4-diethyl-1H-pyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoate
CID 90804853
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
(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
4-ethyl-5-[(E)-[(5Z)-4-ethyl-5-[[3-ethyl-5-[(Z)-[3-ethyl-5-[(1R,2R)-2-[(5E)-4-ethyl-5-[[4-ethyl-5-[(Z)-[(5E)-3-ethyl-5-[(3-ethyl-4-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-2-ylidene]methyl]-3-methyl-1H-pyrrol-2-yl]methylidene]-3-methylpyrrol-2-yl]oxycyclohexyl]oxy-4-methylpyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-3-methylpyrrol-2-ylidene]methyl]-3-methylpyrrol-2-one
CID 177494609
ethane;2-ethenyl-3,4-diethyl-1H-pyrrole
CID 177324812
2-[3-chloro-1-[5-[(E)-(3,4-dimethylpyrrol-2-ylidene)methyl]-3-ethyl-4-methyl-1H-pyrrol-2-yl]propyl]-5-[(Z)-(3,4-dimethylpyrrol-2-ylidene)methyl]-3-ethyl-4-methyl-1H-pyrrole
CID 177439177
(1E)-1-[(5Z)-3-ethyl-5-[[4-ethyl-5-[[3-ethyl-5-(5-ethyl-1,2-oxazol-4-yl)-4-methylpyrrol-2-ylidene]methyl]-3-methyl-1H-pyrrol-2-yl]methylidene]-4-methylpyrrol-2-ylidene]-2-iminopentan-3-one
CID 135804723
(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
(5E)-5-[(3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrol-2-one
CID 10538284
(5Z)-2-(dibromomethyl)-5-[[5-(dibromomethyl)-4-ethyl-3-methyl-1H-pyrrol-2-yl]methylidene]-3-ethyl-4-methylpyrrole
CID 5387607
methyl 3-[(2Z,5E)-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-2-[[5-[(Z)-[3-ethyl-5-oxo-4-(trifluoromethyl)pyrrol-2-ylidene]methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methylpyrrol-3-yl]propanoate
CID 177430535

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(3,4-diethylpyrrol-2-ylidene)methyl]-5-[(Z)-[(5Z)-5-[(3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3-ethyl-4-methylpyrrol-2-ylidene]methyl]-4-ethyl-3-methyl-1H-pyrrole?
The IUPAC name of 2-[(Z)-(3,4-diethylpyrrol-2-ylidene)methyl]-5-[(Z)-[(5Z)-5-[(3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3-ethyl-4-methylpyrrol-2-ylidene]methyl]-4-ethyl-3-methyl-1H-pyrrole (CID 23404508) is 2-[(Z)-(3,4-diethylpyrrol-2-ylidene)methyl]-5-[(Z)-[(5Z)-5-[(3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3-ethyl-4-methylpyrrol-2-ylidene]methyl]-4-ethyl-3-methyl-1H-pyrrole.
What is the SMILES notation for 2-[(Z)-(3,4-diethylpyrrol-2-ylidene)methyl]-5-[(Z)-[(5Z)-5-[(3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3-ethyl-4-methylpyrrol-2-ylidene]methyl]-4-ethyl-3-methyl-1H-pyrrole?
The canonical SMILES for 2-[(Z)-(3,4-diethylpyrrol-2-ylidene)methyl]-5-[(Z)-[(5Z)-5-[(3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3-ethyl-4-methylpyrrol-2-ylidene]methyl]-4-ethyl-3-methyl-1H-pyrrole is CCC1=C(CC)/C(=C/c2[nH]c(/C=c3\[nH]/c(=C\c4[nH]cc(CC)c4CC)c(C)c3CC)c(CC)c2C)N=C1.
What is the InChIKey of 2-[(Z)-(3,4-diethylpyrrol-2-ylidene)methyl]-5-[(Z)-[(5Z)-5-[(3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3-ethyl-4-methylpyrrol-2-ylidene]methyl]-4-ethyl-3-methyl-1H-pyrrole?
The InChIKey is MSFCHODXSPVGED-WTBZLJPKSA-N. The full InChI is InChI=1S/C33H44N4/c1-9-22-18-34-30(26(22)13-5)15-28-20(7)24(11-3)32(36-28)17-33-25(12-4)21(8)29(37-33)16-31-27(14-6)23(10-2)19-35-31/h15-19,34,36-37H,9-14H2,1-8H3/b28-15-,31-16-,32-17-.
What are the key properties of 2-[(Z)-(3,4-diethylpyrrol-2-ylidene)methyl]-5-[(Z)-[(5Z)-5-[(3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3-ethyl-4-methylpyrrol-2-ylidene]methyl]-4-ethyl-3-methyl-1H-pyrrole?
2-[(Z)-(3,4-diethylpyrrol-2-ylidene)methyl]-5-[(Z)-[(5Z)-5-[(3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3-ethyl-4-methylpyrrol-2-ylidene]methyl]-4-ethyl-3-methyl-1H-pyrrole has a molecular weight of 496.74 g/mol, XLogP of 6.74, 9 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(3,4-diethylpyrrol-2-ylidene)methyl]-5-[(Z)-[(5Z)-5-[(3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3-ethyl-4-methylpyrrol-2-ylidene]methyl]-4-ethyl-3-methyl-1H-pyrrole is sourced from PubChem (CID 23404508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).