(2E)-2-[(3,4-diethyl-5-methyl-1H-pyrrol-2-yl)-(4-methylphenyl)methylidene]-5-[(5E)-5-[(3,4-diethyl-5-methyl-1H-pyrrol-2-yl)-(4-methylphenyl)methylidene]-3,4-diethylpyrrol-2-yl]-3,4-diethylpyrrole

C50H62N4 — CID 177408457

IUPAC(2E)-2-[(3,4-diethyl-5-methyl-1H-pyrrol-2-yl)-(4-methylphenyl)methylidene]-5-[(5E)-5-[(3,4-diethyl-5-methyl-1H-pyrrol-2-yl)-(4-methylphenyl)methylidene]-3,4-diethylpyrrol-2-yl]-3,4-diethylpyrrole
SMILESCCC1=C(CC)/C(=C(/c2ccc(C)cc2)c2[nH]c(C)c(CC)c2CC)N=C1C1=N/C(=C(\c2ccc(C)cc2)c2[nH]c(C)c(CC)c2CC)C(CC)=C1CC
InChIInChI=1S/C50H62N4/c1-13-35-31(11)51-45(37(35)15-3)43(33-25-21-29(9)22-26-33)47-39(17-5)41(19-7)49(53-47)50-42(20-8)40(18-6)48(54-50)44(34-27-23-30(10)24-28-34)46-38(16-4)36(14-2)32(12)52-46/h21-28,51-52H,13-20H2,1-12H3/b47-43+,48-44+
InChIKeyCQRFSFOUNSQRAB-FOXIJYENSA-N
MW719.07 g/mol
LogP13.19
Rot. Bonds13

About (2E)-2-[(3,4-diethyl-5-methyl-1H-pyrrol-2-yl)-(4-methylphenyl)methylidene]-5-[(5E)-5-[(3,4-diethyl-5-methyl-1H-pyrrol-2-yl)-(4-methylphenyl)methylidene]-3,4-diethylpyrrol-2-yl]-3,4-diethylpyrrole

(2E)-2-[(3,4-diethyl-5-methyl-1H-pyrrol-2-yl)-(4-methylphenyl)methylidene]-5-[(5E)-5-[(3,4-diethyl-5-methyl-1H-pyrrol-2-yl)-(4-methylphenyl)methylidene]-3,4-diethylpyrrol-2-yl]-3,4-diethylpyrrole (PubChem CID 177408457) has the molecular formula C50H62N4 and a molecular weight of 719.07 g/mol. Its IUPAC name is (2E)-2-[(3,4-diethyl-5-methyl-1H-pyrrol-2-yl)-(4-methylphenyl)methylidene]-5-[(5E)-5-[(3,4-diethyl-5-methyl-1H-pyrrol-2-yl)-(4-methylphenyl)methylidene]-3,4-diethylpyrrol-2-yl]-3,4-diethylpyrrole.

Molecular Properties

Compound Name(2E)-2-[(3,4-diethyl-5-methyl-1H-pyrrol-2-yl)-(4-methylphenyl)methylidene]-5-[(5E)-5-[(3,4-diethyl-5-methyl-1H-pyrrol-2-yl)-(4-methylphenyl)methylidene]-3,4-diethylpyrrol-2-yl]-3,4-diethylpyrrole
PubChem CID177408457
Molecular FormulaC50H62N4
Molecular Weight719.07 g/mol
Exact Mass718.50
IUPAC Name(2E)-2-[(3,4-diethyl-5-methyl-1H-pyrrol-2-yl)-(4-methylphenyl)methylidene]-5-[(5E)-5-[(3,4-diethyl-5-methyl-1H-pyrrol-2-yl)-(4-methylphenyl)methylidene]-3,4-diethylpyrrol-2-yl]-3,4-diethylpyrrole
SMILESCCC1=C(CC)/C(=C(/c2ccc(C)cc2)c2[nH]c(C)c(CC)c2CC)N=C1C1=N/C(=C(\c2ccc(C)cc2)c2[nH]c(C)c(CC)c2CC)C(CC)=C1CC
InChIInChI=1S/C50H62N4/c1-13-35-31(11)51-45(37(35)15-3)43(33-25-21-29(9)22-26-33)47-39(17-5)41(19-7)49(53-47)50-42(20-8)40(18-6)48(54-50)44(34-27-23-30(10)24-28-34)46-38(16-4)36(14-2)32(12)52-46/h21-28,51-52H,13-20H2,1-12H3/b47-43+,48-44+
InChIKeyCQRFSFOUNSQRAB-FOXIJYENSA-N
XLogP13.19
TPSA56.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.07
LogP ≤ 513.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2E)-2-[(3,4-diethyl-5-methyl-1H-pyrrol-2-yl)-(4-methylphenyl)methylidene]-5-[(5E)-5-[(3,4-diethyl-5-methyl-1H-pyrrol-2-yl)-(4-methylphenyl)methylidene]-3,4-diethylpyrrol-2-yl]-3,4-diethylpyrrole with MolForge

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Related Compounds

4-[(Z)-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-(4-ethyl-3,5-dimethylpyrrol-2-ylidene)methyl]benzonitrile
CID 153318043
ethane;2-[4-[(Z)-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-(4-ethyl-3,5-dimethylpyrrol-2-ylidene)methyl]phenyl]pyridine
CID 142492610
2-[(4-tert-butylphenyl)-(4-fluoro-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3,5-dimethylpyrrole
CID 164940620
4-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-(3-methyl-4,5-dihydrobenzo[g]indol-2-ylidene)methyl]-N-(2-hydroxyethyl)benzamide
CID 174045898
(2Z)-2-[(4-iodophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-3,4,5-trimethylpyrrole
CID 177485940
(2Z)-4-ethyl-2-[1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-methylpropylidene]-3,5-dimethylpyrrole;hydrochloride
CID 42599298
2,3,7,8,12,13,17,18-octaethyl-15-(hydroxymethylidene)-21,22-dihydroporphyrin-5-one
CID 136786573
ethyl 5-[4-(5-ethoxycarbonyl-3,4-diethyl-1H-pyrrol-2-yl)phenyl]-3,4-diethyl-1H-pyrrole-2-carboxylate
CID 101267439
N,N-diethyl-2-[(Z)-1-(4-methylphenyl)ethylideneamino]oxyethanamine
CID 6914257
ethyl 5-[6-(5-ethoxycarbonyl-3,4-diethyl-1H-pyrrol-2-yl)-2-pyridinyl]-3,4-diethyl-1H-pyrrole-2-carboxylate
CID 101411468
N-[1-(4-methylphenyl)propylidene]hydroxylamine
CID 7174004
(2,4-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 63927682

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(3,4-diethyl-5-methyl-1H-pyrrol-2-yl)-(4-methylphenyl)methylidene]-5-[(5E)-5-[(3,4-diethyl-5-methyl-1H-pyrrol-2-yl)-(4-methylphenyl)methylidene]-3,4-diethylpyrrol-2-yl]-3,4-diethylpyrrole?
The IUPAC name of (2E)-2-[(3,4-diethyl-5-methyl-1H-pyrrol-2-yl)-(4-methylphenyl)methylidene]-5-[(5E)-5-[(3,4-diethyl-5-methyl-1H-pyrrol-2-yl)-(4-methylphenyl)methylidene]-3,4-diethylpyrrol-2-yl]-3,4-diethylpyrrole (CID 177408457) is (2E)-2-[(3,4-diethyl-5-methyl-1H-pyrrol-2-yl)-(4-methylphenyl)methylidene]-5-[(5E)-5-[(3,4-diethyl-5-methyl-1H-pyrrol-2-yl)-(4-methylphenyl)methylidene]-3,4-diethylpyrrol-2-yl]-3,4-diethylpyrrole.
What is the SMILES notation for (2E)-2-[(3,4-diethyl-5-methyl-1H-pyrrol-2-yl)-(4-methylphenyl)methylidene]-5-[(5E)-5-[(3,4-diethyl-5-methyl-1H-pyrrol-2-yl)-(4-methylphenyl)methylidene]-3,4-diethylpyrrol-2-yl]-3,4-diethylpyrrole?
The canonical SMILES for (2E)-2-[(3,4-diethyl-5-methyl-1H-pyrrol-2-yl)-(4-methylphenyl)methylidene]-5-[(5E)-5-[(3,4-diethyl-5-methyl-1H-pyrrol-2-yl)-(4-methylphenyl)methylidene]-3,4-diethylpyrrol-2-yl]-3,4-diethylpyrrole is CCC1=C(CC)/C(=C(/c2ccc(C)cc2)c2[nH]c(C)c(CC)c2CC)N=C1C1=N/C(=C(\c2ccc(C)cc2)c2[nH]c(C)c(CC)c2CC)C(CC)=C1CC.
What is the InChIKey of (2E)-2-[(3,4-diethyl-5-methyl-1H-pyrrol-2-yl)-(4-methylphenyl)methylidene]-5-[(5E)-5-[(3,4-diethyl-5-methyl-1H-pyrrol-2-yl)-(4-methylphenyl)methylidene]-3,4-diethylpyrrol-2-yl]-3,4-diethylpyrrole?
The InChIKey is CQRFSFOUNSQRAB-FOXIJYENSA-N. The full InChI is InChI=1S/C50H62N4/c1-13-35-31(11)51-45(37(35)15-3)43(33-25-21-29(9)22-26-33)47-39(17-5)41(19-7)49(53-47)50-42(20-8)40(18-6)48(54-50)44(34-27-23-30(10)24-28-34)46-38(16-4)36(14-2)32(12)52-46/h21-28,51-52H,13-20H2,1-12H3/b47-43+,48-44+.
What are the key properties of (2E)-2-[(3,4-diethyl-5-methyl-1H-pyrrol-2-yl)-(4-methylphenyl)methylidene]-5-[(5E)-5-[(3,4-diethyl-5-methyl-1H-pyrrol-2-yl)-(4-methylphenyl)methylidene]-3,4-diethylpyrrol-2-yl]-3,4-diethylpyrrole?
(2E)-2-[(3,4-diethyl-5-methyl-1H-pyrrol-2-yl)-(4-methylphenyl)methylidene]-5-[(5E)-5-[(3,4-diethyl-5-methyl-1H-pyrrol-2-yl)-(4-methylphenyl)methylidene]-3,4-diethylpyrrol-2-yl]-3,4-diethylpyrrole has a molecular weight of 719.07 g/mol, XLogP of 13.19, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(3,4-diethyl-5-methyl-1H-pyrrol-2-yl)-(4-methylphenyl)methylidene]-5-[(5E)-5-[(3,4-diethyl-5-methyl-1H-pyrrol-2-yl)-(4-methylphenyl)methylidene]-3,4-diethylpyrrol-2-yl]-3,4-diethylpyrrole is sourced from PubChem (CID 177408457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).