(8Z,12Z,16Z,19E,21E)-11,15-dihexyl-N-methyl-23-pent-1-en-2-ylimino-10,14-bis[(1E,3E)-5-pent-1-en-2-yliminopenta-1,3-dienyl]tricosa-8,12,16,19,21-pentaen-7-amine

C61H98N4 — CID 126552058

IUPAC(8Z,12Z,16Z,19E,21E)-11,15-dihexyl-N-methyl-23-pent-1-en-2-ylimino-10,14-bis[(1E,3E)-5-pent-1-en-2-yliminopenta-1,3-dienyl]tricosa-8,12,16,19,21-pentaen-7-amine
SMILESC=C(CCC)/N=C/C=C/C=C/C/C=C\C(CCCCCC)C(/C=C\C(CCCCCC)C(/C=C\C(CCCCCC)NC)/C=C/C=C/C=N/C(=C)CCC)/C=C/C=C/C=N/C(=C)CCC
InChIInChI=1S/C61H98N4/c1-11-17-20-29-41-57(42-31-25-23-24-26-35-51-63-54(7)38-14-4)58(44-32-27-36-52-64-55(8)39-15-5)47-48-59(43-30-21-18-12-2)60(45-33-28-37-53-65-56(9)40-16-6)49-50-61(62-10)46-34-22-19-13-3/h23-24,26-28,31-33,35-37,42,44-45,47-53,57-62H,7-9,11-22,25,29-30,34,38-41,43,46H2,1-6,10H3/b24-23+,35-26+,36-27+,37-28+,42-31-,44-32+,45-33+,48-47-,50-49-,63-51+,64-52+,65-53+
InChIKeyGJJBQONRKVYIMI-QZQDHZJLSA-N
MW887.48 g/mol
LogP18.50
Rot. Bonds42

About (8Z,12Z,16Z,19E,21E)-11,15-dihexyl-N-methyl-23-pent-1-en-2-ylimino-10,14-bis[(1E,3E)-5-pent-1-en-2-yliminopenta-1,3-dienyl]tricosa-8,12,16,19,21-pentaen-7-amine

(8Z,12Z,16Z,19E,21E)-11,15-dihexyl-N-methyl-23-pent-1-en-2-ylimino-10,14-bis[(1E,3E)-5-pent-1-en-2-yliminopenta-1,3-dienyl]tricosa-8,12,16,19,21-pentaen-7-amine (PubChem CID 126552058) has the molecular formula C61H98N4 and a molecular weight of 887.48 g/mol. Its IUPAC name is (8Z,12Z,16Z,19E,21E)-11,15-dihexyl-N-methyl-23-pent-1-en-2-ylimino-10,14-bis[(1E,3E)-5-pent-1-en-2-yliminopenta-1,3-dienyl]tricosa-8,12,16,19,21-pentaen-7-amine.

Molecular Properties

Compound Name(8Z,12Z,16Z,19E,21E)-11,15-dihexyl-N-methyl-23-pent-1-en-2-ylimino-10,14-bis[(1E,3E)-5-pent-1-en-2-yliminopenta-1,3-dienyl]tricosa-8,12,16,19,21-pentaen-7-amine
PubChem CID126552058
Molecular FormulaC61H98N4
Molecular Weight887.48 g/mol
Exact Mass886.78
IUPAC Name(8Z,12Z,16Z,19E,21E)-11,15-dihexyl-N-methyl-23-pent-1-en-2-ylimino-10,14-bis[(1E,3E)-5-pent-1-en-2-yliminopenta-1,3-dienyl]tricosa-8,12,16,19,21-pentaen-7-amine
SMILESC=C(CCC)/N=C/C=C/C=C/C/C=C\C(CCCCCC)C(/C=C\C(CCCCCC)C(/C=C\C(CCCCCC)NC)/C=C/C=C/C=N/C(=C)CCC)/C=C/C=C/C=N/C(=C)CCC
InChIInChI=1S/C61H98N4/c1-11-17-20-29-41-57(42-31-25-23-24-26-35-51-63-54(7)38-14-4)58(44-32-27-36-52-64-55(8)39-15-5)47-48-59(43-30-21-18-12-2)60(45-33-28-37-53-65-56(9)40-16-6)49-50-61(62-10)46-34-22-19-13-3/h23-24,26-28,31-33,35-37,42,44-45,47-53,57-62H,7-9,11-22,25,29-30,34,38-41,43,46H2,1-6,10H3/b24-23+,35-26+,36-27+,37-28+,42-31-,44-32+,45-33+,48-47-,50-49-,63-51+,64-52+,65-53+
InChIKeyGJJBQONRKVYIMI-QZQDHZJLSA-N
XLogP18.50
TPSA49.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds42
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500887.48
LogP ≤ 518.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (8Z,12Z,16Z,19E,21E)-11,15-dihexyl-N-methyl-23-pent-1-en-2-ylimino-10,14-bis[(1E,3E)-5-pent-1-en-2-yliminopenta-1,3-dienyl]tricosa-8,12,16,19,21-pentaen-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8Z,12Z,16Z,19E,21E)-11,15-dihexyl-N-methyl-23-pent-1-en-2-ylimino-10,14-bis[(1E,3E)-5-pent-1-en-2-yliminopenta-1,3-dienyl]tricosa-8,12,16,19,21-pentaen-7-amine?
The IUPAC name of (8Z,12Z,16Z,19E,21E)-11,15-dihexyl-N-methyl-23-pent-1-en-2-ylimino-10,14-bis[(1E,3E)-5-pent-1-en-2-yliminopenta-1,3-dienyl]tricosa-8,12,16,19,21-pentaen-7-amine (CID 126552058) is (8Z,12Z,16Z,19E,21E)-11,15-dihexyl-N-methyl-23-pent-1-en-2-ylimino-10,14-bis[(1E,3E)-5-pent-1-en-2-yliminopenta-1,3-dienyl]tricosa-8,12,16,19,21-pentaen-7-amine.
What is the SMILES notation for (8Z,12Z,16Z,19E,21E)-11,15-dihexyl-N-methyl-23-pent-1-en-2-ylimino-10,14-bis[(1E,3E)-5-pent-1-en-2-yliminopenta-1,3-dienyl]tricosa-8,12,16,19,21-pentaen-7-amine?
The canonical SMILES for (8Z,12Z,16Z,19E,21E)-11,15-dihexyl-N-methyl-23-pent-1-en-2-ylimino-10,14-bis[(1E,3E)-5-pent-1-en-2-yliminopenta-1,3-dienyl]tricosa-8,12,16,19,21-pentaen-7-amine is C=C(CCC)/N=C/C=C/C=C/C/C=C\C(CCCCCC)C(/C=C\C(CCCCCC)C(/C=C\C(CCCCCC)NC)/C=C/C=C/C=N/C(=C)CCC)/C=C/C=C/C=N/C(=C)CCC.
What is the InChIKey of (8Z,12Z,16Z,19E,21E)-11,15-dihexyl-N-methyl-23-pent-1-en-2-ylimino-10,14-bis[(1E,3E)-5-pent-1-en-2-yliminopenta-1,3-dienyl]tricosa-8,12,16,19,21-pentaen-7-amine?
The InChIKey is GJJBQONRKVYIMI-QZQDHZJLSA-N. The full InChI is InChI=1S/C61H98N4/c1-11-17-20-29-41-57(42-31-25-23-24-26-35-51-63-54(7)38-14-4)58(44-32-27-36-52-64-55(8)39-15-5)47-48-59(43-30-21-18-12-2)60(45-33-28-37-53-65-56(9)40-16-6)49-50-61(62-10)46-34-22-19-13-3/h23-24,26-28,31-33,35-37,42,44-45,47-53,57-62H,7-9,11-22,25,29-30,34,38-41,43,46H2,1-6,10H3/b24-23+,35-26+,36-27+,37-28+,42-31-,44-32+,45-33+,48-47-,50-49-,63-51+,64-52+,65-53+.
What are the key properties of (8Z,12Z,16Z,19E,21E)-11,15-dihexyl-N-methyl-23-pent-1-en-2-ylimino-10,14-bis[(1E,3E)-5-pent-1-en-2-yliminopenta-1,3-dienyl]tricosa-8,12,16,19,21-pentaen-7-amine?
(8Z,12Z,16Z,19E,21E)-11,15-dihexyl-N-methyl-23-pent-1-en-2-ylimino-10,14-bis[(1E,3E)-5-pent-1-en-2-yliminopenta-1,3-dienyl]tricosa-8,12,16,19,21-pentaen-7-amine has a molecular weight of 887.48 g/mol, XLogP of 18.50, 42 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z,12Z,16Z,19E,21E)-11,15-dihexyl-N-methyl-23-pent-1-en-2-ylimino-10,14-bis[(1E,3E)-5-pent-1-en-2-yliminopenta-1,3-dienyl]tricosa-8,12,16,19,21-pentaen-7-amine is sourced from PubChem (CID 126552058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).