(Z)-6-(1-tritylimidazol-4-yl)hex-5-enal

C28H26N2O — CID 59032666

IUPAC(Z)-6-(1-tritylimidazol-4-yl)hex-5-enal
SMILESO=CCCC/C=C\c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C28H26N2O/c31-21-13-2-1-12-20-27-22-30(23-29-27)28(24-14-6-3-7-15-24,25-16-8-4-9-17-25)26-18-10-5-11-19-26/h3-12,14-23H,1-2,13H2/b20-12-
InChIKeyFMGXWEXOCISQBN-NDENLUEZSA-N
MW406.53 g/mol
LogP6.11
Rot. Bonds9

About (Z)-6-(1-tritylimidazol-4-yl)hex-5-enal

(Z)-6-(1-tritylimidazol-4-yl)hex-5-enal (PubChem CID 59032666) has the molecular formula C28H26N2O and a molecular weight of 406.53 g/mol. Its IUPAC name is (Z)-6-(1-tritylimidazol-4-yl)hex-5-enal.

Molecular Properties

Compound Name(Z)-6-(1-tritylimidazol-4-yl)hex-5-enal
PubChem CID59032666
Molecular FormulaC28H26N2O
Molecular Weight406.53 g/mol
Exact Mass406.20
IUPAC Name(Z)-6-(1-tritylimidazol-4-yl)hex-5-enal
SMILESO=CCCC/C=C\c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C28H26N2O/c31-21-13-2-1-12-20-27-22-30(23-29-27)28(24-14-6-3-7-15-24,25-16-8-4-9-17-25)26-18-10-5-11-19-26/h3-12,14-23H,1-2,13H2/b20-12-
InChIKeyFMGXWEXOCISQBN-NDENLUEZSA-N
XLogP6.11
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-6-(1-tritylimidazol-4-yl)hex-5-enal?
The IUPAC name of (Z)-6-(1-tritylimidazol-4-yl)hex-5-enal (CID 59032666) is (Z)-6-(1-tritylimidazol-4-yl)hex-5-enal.
What is the SMILES notation for (Z)-6-(1-tritylimidazol-4-yl)hex-5-enal?
The canonical SMILES for (Z)-6-(1-tritylimidazol-4-yl)hex-5-enal is O=CCCC/C=C\c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of (Z)-6-(1-tritylimidazol-4-yl)hex-5-enal?
The InChIKey is FMGXWEXOCISQBN-NDENLUEZSA-N. The full InChI is InChI=1S/C28H26N2O/c31-21-13-2-1-12-20-27-22-30(23-29-27)28(24-14-6-3-7-15-24,25-16-8-4-9-17-25)26-18-10-5-11-19-26/h3-12,14-23H,1-2,13H2/b20-12-.
What are the key properties of (Z)-6-(1-tritylimidazol-4-yl)hex-5-enal?
(Z)-6-(1-tritylimidazol-4-yl)hex-5-enal has a molecular weight of 406.53 g/mol, XLogP of 6.11, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-(1-tritylimidazol-4-yl)hex-5-enal is sourced from PubChem (CID 59032666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).