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

C35H48N4 — CID 139120696

IUPAC(5Z)-2-[[3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]methyl]-3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrole
SMILESCCC1=C(CC)C(CC2=N/C(=C\c3[nH]c(C)c(CC)c3C)C(CC)=C2CC)=NC1=Cc1[nH]c(C)c(CC)c1C
InChIInChI=1S/C35H48N4/c1-11-24-20(7)30(36-22(24)9)17-32-26(13-3)28(15-5)34(38-32)19-35-29(16-6)27(14-4)33(39-35)18-31-21(8)25(12-2)23(10)37-31/h17-18,36-37H,11-16,19H2,1-10H3/b32-17-,33-18?
InChIKeyVJXJZBBUOQFKRO-WFBAMQQTSA-N
MW524.80 g/mol
LogP9.62
Rot. Bonds10

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

(5Z)-2-[[3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]methyl]-3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrole (PubChem CID 139120696) has the molecular formula C35H48N4 and a molecular weight of 524.80 g/mol. Its IUPAC name is (5Z)-2-[[3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]methyl]-3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrole.

Molecular Properties

Compound Name(5Z)-2-[[3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]methyl]-3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrole
PubChem CID139120696
Molecular FormulaC35H48N4
Molecular Weight524.80 g/mol
Exact Mass524.39
IUPAC Name(5Z)-2-[[3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]methyl]-3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrole
SMILESCCC1=C(CC)C(CC2=N/C(=C\c3[nH]c(C)c(CC)c3C)C(CC)=C2CC)=NC1=Cc1[nH]c(C)c(CC)c1C
InChIInChI=1S/C35H48N4/c1-11-24-20(7)30(36-22(24)9)17-32-26(13-3)28(15-5)34(38-32)19-35-29(16-6)27(14-4)33(39-35)18-31-21(8)25(12-2)23(10)37-31/h17-18,36-37H,11-16,19H2,1-10H3/b32-17-,33-18?
InChIKeyVJXJZBBUOQFKRO-WFBAMQQTSA-N
XLogP9.62
TPSA56.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.80
LogP ≤ 59.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4,5-trimethylpyrrole;hydrobromide
CID 132760546
methyl 3-[(2Z)-5-[[(5E)-3-(2-chloroethyl)-5-[[4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-4-methylpyrrol-2-yl]methyl]-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoate
CID 46222496
(5Z)-2-(dibromomethyl)-5-[[5-(dibromomethyl)-4-ethyl-3-methyl-1H-pyrrol-2-yl]methylidene]-3-ethyl-4-methylpyrrole
CID 5387607
3-ethyl-2,4-dimethyl-5-[(4-methylpyrrol-2-ylidene)methyl]-1H-pyrrole
CID 170990909
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
(2Z)-2-[(5-bromo-3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3,5-dimethylpyrrole
CID 138962845
(1Z)-1-[(3-ethyl-4,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-[[(5Z)-4-ethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-methylpyrrol-1-ium-2-yl]methyl]-4,5,6,7-tetrahydroisoindol-2-ium dibromide
CID 10009667
(2Z)-2-[[3,4-dimethyl-5-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl]methylidene]-5-[[(5E)-3,4-dimethyl-5-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]methyl]-3,4-dimethylpyrrole
CID 10530269
[1-[2-[2-[(5E)-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrol-3-yl]acetyl]oxynaphthalen-1-yl]naphthalen-2-yl] 2-[(5Z)-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrol-3-yl]acetate
CID 177397877
(5Z)-2,3,4-trimethyl-5-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]pyrrole
CID 15857952
2-[(Z)-(5-bromo-3,4-dimethylpyrrol-1-ium-2-ylidene)methyl]-4-ethyl-5-[[(5Z)-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrol-1-ium-2-yl]methyl]-3-methyl-1H-pyrrole dibromide
CID 164672972
methyl 3-[(5Z)-5-[(3,4-dimethyl-5-(113C)methyl-1H-pyrrol-2-yl)methylidene]-2-[[3-(3-methoxy-3-oxopropyl)-4-methyl-5-[(Z)-(3,4,5-trimethylpyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methyl]-4-methylpyrrol-3-yl]propanoate
CID 138962847

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-[[3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]methyl]-3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrole?
The IUPAC name of (5Z)-2-[[3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]methyl]-3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrole (CID 139120696) is (5Z)-2-[[3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]methyl]-3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrole.
What is the SMILES notation for (5Z)-2-[[3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]methyl]-3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrole?
The canonical SMILES for (5Z)-2-[[3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]methyl]-3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrole is CCC1=C(CC)C(CC2=N/C(=C\c3[nH]c(C)c(CC)c3C)C(CC)=C2CC)=NC1=Cc1[nH]c(C)c(CC)c1C.
What is the InChIKey of (5Z)-2-[[3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]methyl]-3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrole?
The InChIKey is VJXJZBBUOQFKRO-WFBAMQQTSA-N. The full InChI is InChI=1S/C35H48N4/c1-11-24-20(7)30(36-22(24)9)17-32-26(13-3)28(15-5)34(38-32)19-35-29(16-6)27(14-4)33(39-35)18-31-21(8)25(12-2)23(10)37-31/h17-18,36-37H,11-16,19H2,1-10H3/b32-17-,33-18?.
What are the key properties of (5Z)-2-[[3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]methyl]-3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrole?
(5Z)-2-[[3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]methyl]-3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrole has a molecular weight of 524.80 g/mol, XLogP of 9.62, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-[[3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]methyl]-3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrole is sourced from PubChem (CID 139120696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).