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

C68H84N8O4 — CID 177494609

IUPAC4-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
SMILESCCC1=C(C)C(=O)N=C1/C=c1/[nH]/c(=C\c2[nH]c(/C=C3\N=C(O[C@@H]4CCCC[C@H]4OC4=N/C(=C/c5[nH]c(/C=c6\[nH]/c(=C/C7=NC(=O)C(C)=C7CC)c(C)c6CC)c(CC)c5C)C(CC)=C4C)C(C)=C3CC)c(C)c2CC)c(CC)c1C
InChIInChI=1S/C68H84N8O4/c1-17-43-35(9)51(29-59-47(21-5)39(13)65(77)73-59)69-55(43)33-57-45(19-3)37(11)53(71-57)31-61-49(23-7)41(15)67(75-61)79-63-27-25-26-28-64(63)80-68-42(16)50(24-8)62(76-68)32-54-38(12)46(20-4)58(72-54)34-56-44(18-2)36(10)52(70-56)30-60-48(22-6)40(14)66(78)74-60/h29-34,63-64,69-72H,17-28H2,1-16H3/b51-29+,52-30+,55-33-,56-34-,61-31-,62-32+/t63-,64-/m1/s1
InChIKeyMRWCGLWOFOXVGW-XAWVMILUSA-N
MW1077.47 g/mol
LogP12.12
Rot. Bonds16

About 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

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 (PubChem CID 177494609) has the molecular formula C68H84N8O4 and a molecular weight of 1077.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID177494609
Molecular FormulaC68H84N8O4
Molecular Weight1077.47 g/mol
Exact Mass1076.66
IUPAC Name4-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
SMILESCCC1=C(C)C(=O)N=C1/C=c1/[nH]/c(=C\c2[nH]c(/C=C3\N=C(O[C@@H]4CCCC[C@H]4OC4=N/C(=C/c5[nH]c(/C=c6\[nH]/c(=C/C7=NC(=O)C(C)=C7CC)c(C)c6CC)c(CC)c5C)C(CC)=C4C)C(C)=C3CC)c(C)c2CC)c(CC)c1C
InChIInChI=1S/C68H84N8O4/c1-17-43-35(9)51(29-59-47(21-5)39(13)65(77)73-59)69-55(43)33-57-45(19-3)37(11)53(71-57)31-61-49(23-7)41(15)67(75-61)79-63-27-25-26-28-64(63)80-68-42(16)50(24-8)62(76-68)32-54-38(12)46(20-4)58(72-54)34-56-44(18-2)36(10)52(70-56)30-60-48(22-6)40(14)66(78)74-60/h29-34,63-64,69-72H,17-28H2,1-16H3/b51-29+,52-30+,55-33-,56-34-,61-31-,62-32+/t63-,64-/m1/s1
InChIKeyMRWCGLWOFOXVGW-XAWVMILUSA-N
XLogP12.12
TPSA165.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001077.47
LogP ≤ 512.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC1=C(C)C(=O)N=C1/C=c1/[nH]/c(=C\c2[nH]c(/C=C3\N=C(O[C@@H]4CCCC[C@H]4OC4=N/C(=C/c5[nH]c(/C=c6\[nH]/c(=C/C7=NC(=O)C(C)=C7CC)c(C)c6CC)c(CC)c5C)C(CC)=C4C)C(C)=C3CC)c(C)c2CC)c(CC)c1C.
What is the InChIKey of 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?
The InChIKey is MRWCGLWOFOXVGW-XAWVMILUSA-N. The full InChI is InChI=1S/C68H84N8O4/c1-17-43-35(9)51(29-59-47(21-5)39(13)65(77)73-59)69-55(43)33-57-45(19-3)37(11)53(71-57)31-61-49(23-7)41(15)67(75-61)79-63-27-25-26-28-64(63)80-68-42(16)50(24-8)62(76-68)32-54-38(12)46(20-4)58(72-54)34-56-44(18-2)36(10)52(70-56)30-60-48(22-6)40(14)66(78)74-60/h29-34,63-64,69-72H,17-28H2,1-16H3/b51-29+,52-30+,55-33-,56-34-,61-31-,62-32+/t63-,64-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 1077.47 g/mol, XLogP of 12.12, 16 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177494609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).