4-[4-tris[4-(4-formylphenyl)phenyl]germylphenyl]benzaldehyde

C52H36GeO4 — CID 154407147

IUPAC4-[4-tris[4-(4-formylphenyl)phenyl]germylphenyl]benzaldehyde
SMILESO=Cc1ccc(-c2ccc([Ge](c3ccc(-c4ccc(C=O)cc4)cc3)(c3ccc(-c4ccc(C=O)cc4)cc3)c3ccc(-c4ccc(C=O)cc4)cc3)cc2)cc1
InChIInChI=1S/C52H36GeO4/c54-33-37-1-9-41(10-2-37)45-17-25-49(26-18-45)53(50-27-19-46(20-28-50)42-11-3-38(34-55)4-12-42,51-29-21-47(22-30-51)43-13-5-39(35-56)6-14-43)52-31-23-48(24-32-52)44-15-7-40(36-57)8-16-44/h1-36H
InChIKeyMPDWQJIVZYFVQD-UHFFFAOYSA-N
MW797.47 g/mol
LogP8.98
Rot. Bonds12

About 4-[4-tris[4-(4-formylphenyl)phenyl]germylphenyl]benzaldehyde

4-[4-tris[4-(4-formylphenyl)phenyl]germylphenyl]benzaldehyde (PubChem CID 154407147) has the molecular formula C52H36GeO4 and a molecular weight of 797.47 g/mol. Its IUPAC name is 4-[4-tris[4-(4-formylphenyl)phenyl]germylphenyl]benzaldehyde.

Molecular Properties

Compound Name4-[4-tris[4-(4-formylphenyl)phenyl]germylphenyl]benzaldehyde
PubChem CID154407147
Molecular FormulaC52H36GeO4
Molecular Weight797.47 g/mol
Exact Mass798.18
IUPAC Name4-[4-tris[4-(4-formylphenyl)phenyl]germylphenyl]benzaldehyde
SMILESO=Cc1ccc(-c2ccc([Ge](c3ccc(-c4ccc(C=O)cc4)cc3)(c3ccc(-c4ccc(C=O)cc4)cc3)c3ccc(-c4ccc(C=O)cc4)cc3)cc2)cc1
InChIInChI=1S/C52H36GeO4/c54-33-37-1-9-41(10-2-37)45-17-25-49(26-18-45)53(50-27-19-46(20-28-50)42-11-3-38(34-55)4-12-42,51-29-21-47(22-30-51)43-13-5-39(35-56)6-14-43)52-31-23-48(24-32-52)44-15-7-40(36-57)8-16-44/h1-36H
InChIKeyMPDWQJIVZYFVQD-UHFFFAOYSA-N
XLogP8.98
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.47
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-tris[4-(4-formylphenyl)phenyl]germylphenyl]benzaldehyde?
The IUPAC name of 4-[4-tris[4-(4-formylphenyl)phenyl]germylphenyl]benzaldehyde (CID 154407147) is 4-[4-tris[4-(4-formylphenyl)phenyl]germylphenyl]benzaldehyde.
What is the SMILES notation for 4-[4-tris[4-(4-formylphenyl)phenyl]germylphenyl]benzaldehyde?
The canonical SMILES for 4-[4-tris[4-(4-formylphenyl)phenyl]germylphenyl]benzaldehyde is O=Cc1ccc(-c2ccc([Ge](c3ccc(-c4ccc(C=O)cc4)cc3)(c3ccc(-c4ccc(C=O)cc4)cc3)c3ccc(-c4ccc(C=O)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-tris[4-(4-formylphenyl)phenyl]germylphenyl]benzaldehyde?
The InChIKey is MPDWQJIVZYFVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36GeO4/c54-33-37-1-9-41(10-2-37)45-17-25-49(26-18-45)53(50-27-19-46(20-28-50)42-11-3-38(34-55)4-12-42,51-29-21-47(22-30-51)43-13-5-39(35-56)6-14-43)52-31-23-48(24-32-52)44-15-7-40(36-57)8-16-44/h1-36H.
What are the key properties of 4-[4-tris[4-(4-formylphenyl)phenyl]germylphenyl]benzaldehyde?
4-[4-tris[4-(4-formylphenyl)phenyl]germylphenyl]benzaldehyde has a molecular weight of 797.47 g/mol, XLogP of 8.98, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-tris[4-(4-formylphenyl)phenyl]germylphenyl]benzaldehyde is sourced from PubChem (CID 154407147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).