4-[2-[2-(2-phenylphenyl)phenyl]phenyl]cyclohexa-2,4-diene-1,1-dicarbaldehyde

C32H24O2 — CID 171776171

IUPAC4-[2-[2-(2-phenylphenyl)phenyl]phenyl]cyclohexa-2,4-diene-1,1-dicarbaldehyde
SMILESO=CC1(C=O)C=CC(c2ccccc2-c2ccccc2-c2ccccc2-c2ccccc2)=CC1
InChIInChI=1S/C32H24O2/c33-22-32(23-34)20-18-25(19-21-32)27-13-5-7-15-29(27)31-17-9-8-16-30(31)28-14-6-4-12-26(28)24-10-2-1-3-11-24/h1-20,22-23H,21H2
InChIKeyFYJLYFBFYUTBGW-UHFFFAOYSA-N
MW440.54 g/mol
LogP7.42
Rot. Bonds6

About 4-[2-[2-(2-phenylphenyl)phenyl]phenyl]cyclohexa-2,4-diene-1,1-dicarbaldehyde

4-[2-[2-(2-phenylphenyl)phenyl]phenyl]cyclohexa-2,4-diene-1,1-dicarbaldehyde (PubChem CID 171776171) has the molecular formula C32H24O2 and a molecular weight of 440.54 g/mol. Its IUPAC name is 4-[2-[2-(2-phenylphenyl)phenyl]phenyl]cyclohexa-2,4-diene-1,1-dicarbaldehyde.

Molecular Properties

Compound Name4-[2-[2-(2-phenylphenyl)phenyl]phenyl]cyclohexa-2,4-diene-1,1-dicarbaldehyde
PubChem CID171776171
Molecular FormulaC32H24O2
Molecular Weight440.54 g/mol
Exact Mass440.18
IUPAC Name4-[2-[2-(2-phenylphenyl)phenyl]phenyl]cyclohexa-2,4-diene-1,1-dicarbaldehyde
SMILESO=CC1(C=O)C=CC(c2ccccc2-c2ccccc2-c2ccccc2-c2ccccc2)=CC1
InChIInChI=1S/C32H24O2/c33-22-32(23-34)20-18-25(19-21-32)27-13-5-7-15-29(27)31-17-9-8-16-30(31)28-14-6-4-12-26(28)24-10-2-1-3-11-24/h1-20,22-23H,21H2
InChIKeyFYJLYFBFYUTBGW-UHFFFAOYSA-N
XLogP7.42
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-phenylphenyl)phenyl]phenyl]cyclohexa-2,4-diene-1,1-dicarbaldehyde?
The IUPAC name of 4-[2-[2-(2-phenylphenyl)phenyl]phenyl]cyclohexa-2,4-diene-1,1-dicarbaldehyde (CID 171776171) is 4-[2-[2-(2-phenylphenyl)phenyl]phenyl]cyclohexa-2,4-diene-1,1-dicarbaldehyde.
What is the SMILES notation for 4-[2-[2-(2-phenylphenyl)phenyl]phenyl]cyclohexa-2,4-diene-1,1-dicarbaldehyde?
The canonical SMILES for 4-[2-[2-(2-phenylphenyl)phenyl]phenyl]cyclohexa-2,4-diene-1,1-dicarbaldehyde is O=CC1(C=O)C=CC(c2ccccc2-c2ccccc2-c2ccccc2-c2ccccc2)=CC1.
What is the InChIKey of 4-[2-[2-(2-phenylphenyl)phenyl]phenyl]cyclohexa-2,4-diene-1,1-dicarbaldehyde?
The InChIKey is FYJLYFBFYUTBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24O2/c33-22-32(23-34)20-18-25(19-21-32)27-13-5-7-15-29(27)31-17-9-8-16-30(31)28-14-6-4-12-26(28)24-10-2-1-3-11-24/h1-20,22-23H,21H2.
What are the key properties of 4-[2-[2-(2-phenylphenyl)phenyl]phenyl]cyclohexa-2,4-diene-1,1-dicarbaldehyde?
4-[2-[2-(2-phenylphenyl)phenyl]phenyl]cyclohexa-2,4-diene-1,1-dicarbaldehyde has a molecular weight of 440.54 g/mol, XLogP of 7.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-phenylphenyl)phenyl]phenyl]cyclohexa-2,4-diene-1,1-dicarbaldehyde is sourced from PubChem (CID 171776171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).