2-phenyl-2-(1-tritylimidazol-4-yl)acetaldehyde

C30H24N2O — CID 87249533

IUPAC2-phenyl-2-(1-tritylimidazol-4-yl)acetaldehyde
SMILESO=CC(c1ccccc1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C30H24N2O/c33-22-28(24-13-5-1-6-14-24)29-21-32(23-31-29)30(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-23,28H
InChIKeyKFTXAEMONNELCQ-UHFFFAOYSA-N
MW428.54 g/mol
LogP6.05
Rot. Bonds7

About 2-phenyl-2-(1-tritylimidazol-4-yl)acetaldehyde

2-phenyl-2-(1-tritylimidazol-4-yl)acetaldehyde (PubChem CID 87249533) has the molecular formula C30H24N2O and a molecular weight of 428.54 g/mol. Its IUPAC name is 2-phenyl-2-(1-tritylimidazol-4-yl)acetaldehyde.

Molecular Properties

Compound Name2-phenyl-2-(1-tritylimidazol-4-yl)acetaldehyde
PubChem CID87249533
Molecular FormulaC30H24N2O
Molecular Weight428.54 g/mol
Exact Mass428.19
IUPAC Name2-phenyl-2-(1-tritylimidazol-4-yl)acetaldehyde
SMILESO=CC(c1ccccc1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C30H24N2O/c33-22-28(24-13-5-1-6-14-24)29-21-32(23-31-29)30(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-23,28H
InChIKeyKFTXAEMONNELCQ-UHFFFAOYSA-N
XLogP6.05
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.54
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(1-tritylimidazol-4-yl)acetaldehyde?
The IUPAC name of 2-phenyl-2-(1-tritylimidazol-4-yl)acetaldehyde (CID 87249533) is 2-phenyl-2-(1-tritylimidazol-4-yl)acetaldehyde.
What is the SMILES notation for 2-phenyl-2-(1-tritylimidazol-4-yl)acetaldehyde?
The canonical SMILES for 2-phenyl-2-(1-tritylimidazol-4-yl)acetaldehyde is O=CC(c1ccccc1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of 2-phenyl-2-(1-tritylimidazol-4-yl)acetaldehyde?
The InChIKey is KFTXAEMONNELCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O/c33-22-28(24-13-5-1-6-14-24)29-21-32(23-31-29)30(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-23,28H.
What are the key properties of 2-phenyl-2-(1-tritylimidazol-4-yl)acetaldehyde?
2-phenyl-2-(1-tritylimidazol-4-yl)acetaldehyde has a molecular weight of 428.54 g/mol, XLogP of 6.05, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(1-tritylimidazol-4-yl)acetaldehyde is sourced from PubChem (CID 87249533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).