4-[10-(4-formylphenyl)-2,7,9,10-tetramethylphenanthren-9-yl]benzaldehyde

C32H28O2 — CID 58544515

IUPAC4-[10-(4-formylphenyl)-2,7,9,10-tetramethylphenanthren-9-yl]benzaldehyde
SMILESCc1ccc2c(c1)C(C)(c1ccc(C=O)cc1)C(C)(c1ccc(C=O)cc1)c1cc(C)ccc1-2
InChIInChI=1S/C32H28O2/c1-21-5-15-27-28-16-6-22(2)18-30(28)32(4,26-13-9-24(20-34)10-14-26)31(3,29(27)17-21)25-11-7-23(19-33)8-12-25/h5-20H,1-4H3
InChIKeyUZYADBMUTBCRMF-UHFFFAOYSA-N
MW444.57 g/mol
LogP7.22
Rot. Bonds4

About 4-[10-(4-formylphenyl)-2,7,9,10-tetramethylphenanthren-9-yl]benzaldehyde

4-[10-(4-formylphenyl)-2,7,9,10-tetramethylphenanthren-9-yl]benzaldehyde (PubChem CID 58544515) has the molecular formula C32H28O2 and a molecular weight of 444.57 g/mol. Its IUPAC name is 4-[10-(4-formylphenyl)-2,7,9,10-tetramethylphenanthren-9-yl]benzaldehyde.

Molecular Properties

Compound Name4-[10-(4-formylphenyl)-2,7,9,10-tetramethylphenanthren-9-yl]benzaldehyde
PubChem CID58544515
Molecular FormulaC32H28O2
Molecular Weight444.57 g/mol
Exact Mass444.21
IUPAC Name4-[10-(4-formylphenyl)-2,7,9,10-tetramethylphenanthren-9-yl]benzaldehyde
SMILESCc1ccc2c(c1)C(C)(c1ccc(C=O)cc1)C(C)(c1ccc(C=O)cc1)c1cc(C)ccc1-2
InChIInChI=1S/C32H28O2/c1-21-5-15-27-28-16-6-22(2)18-30(28)32(4,26-13-9-24(20-34)10-14-26)31(3,29(27)17-21)25-11-7-23(19-33)8-12-25/h5-20H,1-4H3
InChIKeyUZYADBMUTBCRMF-UHFFFAOYSA-N
XLogP7.22
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.57
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[10-(4-formylphenyl)-2,7,9,10-tetramethylphenanthren-9-yl]benzaldehyde?
The IUPAC name of 4-[10-(4-formylphenyl)-2,7,9,10-tetramethylphenanthren-9-yl]benzaldehyde (CID 58544515) is 4-[10-(4-formylphenyl)-2,7,9,10-tetramethylphenanthren-9-yl]benzaldehyde.
What is the SMILES notation for 4-[10-(4-formylphenyl)-2,7,9,10-tetramethylphenanthren-9-yl]benzaldehyde?
The canonical SMILES for 4-[10-(4-formylphenyl)-2,7,9,10-tetramethylphenanthren-9-yl]benzaldehyde is Cc1ccc2c(c1)C(C)(c1ccc(C=O)cc1)C(C)(c1ccc(C=O)cc1)c1cc(C)ccc1-2.
What is the InChIKey of 4-[10-(4-formylphenyl)-2,7,9,10-tetramethylphenanthren-9-yl]benzaldehyde?
The InChIKey is UZYADBMUTBCRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28O2/c1-21-5-15-27-28-16-6-22(2)18-30(28)32(4,26-13-9-24(20-34)10-14-26)31(3,29(27)17-21)25-11-7-23(19-33)8-12-25/h5-20H,1-4H3.
What are the key properties of 4-[10-(4-formylphenyl)-2,7,9,10-tetramethylphenanthren-9-yl]benzaldehyde?
4-[10-(4-formylphenyl)-2,7,9,10-tetramethylphenanthren-9-yl]benzaldehyde has a molecular weight of 444.57 g/mol, XLogP of 7.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-(4-formylphenyl)-2,7,9,10-tetramethylphenanthren-9-yl]benzaldehyde is sourced from PubChem (CID 58544515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).