1-[(3-phenylphenyl)methylidene]-3-(5-propoxypentyl)indene

C30H32O — CID 123780220

IUPAC1-[(3-phenylphenyl)methylidene]-3-(5-propoxypentyl)indene
SMILESCCCOCCCCCC1=CC(=Cc2cccc(-c3ccccc3)c2)c2ccccc21
InChIInChI=1S/C30H32O/c1-2-19-31-20-10-4-7-15-27-23-28(30-18-9-8-17-29(27)30)22-24-12-11-16-26(21-24)25-13-5-3-6-14-25/h3,5-6,8-9,11-14,16-18,21-23H,2,4,7,10,15,19-20H2,1H3
InChIKeyDHZAOSSJOJYPIZ-UHFFFAOYSA-N
MW408.59 g/mol
LogP8.28
Rot. Bonds10

About 1-[(3-phenylphenyl)methylidene]-3-(5-propoxypentyl)indene

1-[(3-phenylphenyl)methylidene]-3-(5-propoxypentyl)indene (PubChem CID 123780220) has the molecular formula C30H32O and a molecular weight of 408.59 g/mol. Its IUPAC name is 1-[(3-phenylphenyl)methylidene]-3-(5-propoxypentyl)indene.

Molecular Properties

Compound Name1-[(3-phenylphenyl)methylidene]-3-(5-propoxypentyl)indene
PubChem CID123780220
Molecular FormulaC30H32O
Molecular Weight408.59 g/mol
Exact Mass408.25
IUPAC Name1-[(3-phenylphenyl)methylidene]-3-(5-propoxypentyl)indene
SMILESCCCOCCCCCC1=CC(=Cc2cccc(-c3ccccc3)c2)c2ccccc21
InChIInChI=1S/C30H32O/c1-2-19-31-20-10-4-7-15-27-23-28(30-18-9-8-17-29(27)30)22-24-12-11-16-26(21-24)25-13-5-3-6-14-25/h3,5-6,8-9,11-14,16-18,21-23H,2,4,7,10,15,19-20H2,1H3
InChIKeyDHZAOSSJOJYPIZ-UHFFFAOYSA-N
XLogP8.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.59
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-phenylphenyl)methylidene]-3-(5-propoxypentyl)indene?
The IUPAC name of 1-[(3-phenylphenyl)methylidene]-3-(5-propoxypentyl)indene (CID 123780220) is 1-[(3-phenylphenyl)methylidene]-3-(5-propoxypentyl)indene.
What is the SMILES notation for 1-[(3-phenylphenyl)methylidene]-3-(5-propoxypentyl)indene?
The canonical SMILES for 1-[(3-phenylphenyl)methylidene]-3-(5-propoxypentyl)indene is CCCOCCCCCC1=CC(=Cc2cccc(-c3ccccc3)c2)c2ccccc21.
What is the InChIKey of 1-[(3-phenylphenyl)methylidene]-3-(5-propoxypentyl)indene?
The InChIKey is DHZAOSSJOJYPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32O/c1-2-19-31-20-10-4-7-15-27-23-28(30-18-9-8-17-29(27)30)22-24-12-11-16-26(21-24)25-13-5-3-6-14-25/h3,5-6,8-9,11-14,16-18,21-23H,2,4,7,10,15,19-20H2,1H3.
What are the key properties of 1-[(3-phenylphenyl)methylidene]-3-(5-propoxypentyl)indene?
1-[(3-phenylphenyl)methylidene]-3-(5-propoxypentyl)indene has a molecular weight of 408.59 g/mol, XLogP of 8.28, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-phenylphenyl)methylidene]-3-(5-propoxypentyl)indene is sourced from PubChem (CID 123780220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).