6-[4-(dimethylamino)phenyl]-4-(4-phenylphenyl)cyclohexa-1,3-diene-1-carbaldehyde

C27H25NO — CID 24859969

IUPAC6-[4-(dimethylamino)phenyl]-4-(4-phenylphenyl)cyclohexa-1,3-diene-1-carbaldehyde
SMILESCN(C)c1ccc(C2CC(c3ccc(-c4ccccc4)cc3)=CC=C2C=O)cc1
InChIInChI=1S/C27H25NO/c1-28(2)26-16-14-23(15-17-26)27-18-24(12-13-25(27)19-29)22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-17,19,27H,18H2,1-2H3
InChIKeyDHWSQZXKDOOHAA-UHFFFAOYSA-N
MW379.50 g/mol
LogP6.12
Rot. Bonds5

About 6-[4-(dimethylamino)phenyl]-4-(4-phenylphenyl)cyclohexa-1,3-diene-1-carbaldehyde

6-[4-(dimethylamino)phenyl]-4-(4-phenylphenyl)cyclohexa-1,3-diene-1-carbaldehyde (PubChem CID 24859969) has the molecular formula C27H25NO and a molecular weight of 379.50 g/mol. Its IUPAC name is 6-[4-(dimethylamino)phenyl]-4-(4-phenylphenyl)cyclohexa-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name6-[4-(dimethylamino)phenyl]-4-(4-phenylphenyl)cyclohexa-1,3-diene-1-carbaldehyde
PubChem CID24859969
Molecular FormulaC27H25NO
Molecular Weight379.50 g/mol
Exact Mass379.19
IUPAC Name6-[4-(dimethylamino)phenyl]-4-(4-phenylphenyl)cyclohexa-1,3-diene-1-carbaldehyde
SMILESCN(C)c1ccc(C2CC(c3ccc(-c4ccccc4)cc3)=CC=C2C=O)cc1
InChIInChI=1S/C27H25NO/c1-28(2)26-16-14-23(15-17-26)27-18-24(12-13-25(27)19-29)22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-17,19,27H,18H2,1-2H3
InChIKeyDHWSQZXKDOOHAA-UHFFFAOYSA-N
XLogP6.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)phenyl]-4-(4-phenylphenyl)cyclohexa-1,3-diene-1-carbaldehyde?
The IUPAC name of 6-[4-(dimethylamino)phenyl]-4-(4-phenylphenyl)cyclohexa-1,3-diene-1-carbaldehyde (CID 24859969) is 6-[4-(dimethylamino)phenyl]-4-(4-phenylphenyl)cyclohexa-1,3-diene-1-carbaldehyde.
What is the SMILES notation for 6-[4-(dimethylamino)phenyl]-4-(4-phenylphenyl)cyclohexa-1,3-diene-1-carbaldehyde?
The canonical SMILES for 6-[4-(dimethylamino)phenyl]-4-(4-phenylphenyl)cyclohexa-1,3-diene-1-carbaldehyde is CN(C)c1ccc(C2CC(c3ccc(-c4ccccc4)cc3)=CC=C2C=O)cc1.
What is the InChIKey of 6-[4-(dimethylamino)phenyl]-4-(4-phenylphenyl)cyclohexa-1,3-diene-1-carbaldehyde?
The InChIKey is DHWSQZXKDOOHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO/c1-28(2)26-16-14-23(15-17-26)27-18-24(12-13-25(27)19-29)22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-17,19,27H,18H2,1-2H3.
What are the key properties of 6-[4-(dimethylamino)phenyl]-4-(4-phenylphenyl)cyclohexa-1,3-diene-1-carbaldehyde?
6-[4-(dimethylamino)phenyl]-4-(4-phenylphenyl)cyclohexa-1,3-diene-1-carbaldehyde has a molecular weight of 379.50 g/mol, XLogP of 6.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)phenyl]-4-(4-phenylphenyl)cyclohexa-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 24859969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).