4,9-diphenylundeca-2,4,7,9-tetraen-2-amine

C23H25N — CID 123327967

IUPAC4,9-diphenylundeca-2,4,7,9-tetraen-2-amine
SMILESCC=C(C=CCC=C(C=C(C)N)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H25N/c1-3-20(21-13-6-4-7-14-21)12-10-11-17-23(18-19(2)24)22-15-8-5-9-16-22/h3-10,12-18H,11,24H2,1-2H3
InChIKeyYGRHLSUNYDWYLO-UHFFFAOYSA-N
MW315.46 g/mol
LogP5.98
Rot. Bonds6

About 4,9-diphenylundeca-2,4,7,9-tetraen-2-amine

4,9-diphenylundeca-2,4,7,9-tetraen-2-amine (PubChem CID 123327967) has the molecular formula C23H25N and a molecular weight of 315.46 g/mol. Its IUPAC name is 4,9-diphenylundeca-2,4,7,9-tetraen-2-amine.

Molecular Properties

Compound Name4,9-diphenylundeca-2,4,7,9-tetraen-2-amine
PubChem CID123327967
Molecular FormulaC23H25N
Molecular Weight315.46 g/mol
Exact Mass315.20
IUPAC Name4,9-diphenylundeca-2,4,7,9-tetraen-2-amine
SMILESCC=C(C=CCC=C(C=C(C)N)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H25N/c1-3-20(21-13-6-4-7-14-21)12-10-11-17-23(18-19(2)24)22-15-8-5-9-16-22/h3-10,12-18H,11,24H2,1-2H3
InChIKeyYGRHLSUNYDWYLO-UHFFFAOYSA-N
XLogP5.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.46
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,9-diphenylundeca-2,4,7,9-tetraen-2-amine?
The IUPAC name of 4,9-diphenylundeca-2,4,7,9-tetraen-2-amine (CID 123327967) is 4,9-diphenylundeca-2,4,7,9-tetraen-2-amine.
What is the SMILES notation for 4,9-diphenylundeca-2,4,7,9-tetraen-2-amine?
The canonical SMILES for 4,9-diphenylundeca-2,4,7,9-tetraen-2-amine is CC=C(C=CCC=C(C=C(C)N)c1ccccc1)c1ccccc1.
What is the InChIKey of 4,9-diphenylundeca-2,4,7,9-tetraen-2-amine?
The InChIKey is YGRHLSUNYDWYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N/c1-3-20(21-13-6-4-7-14-21)12-10-11-17-23(18-19(2)24)22-15-8-5-9-16-22/h3-10,12-18H,11,24H2,1-2H3.
What are the key properties of 4,9-diphenylundeca-2,4,7,9-tetraen-2-amine?
4,9-diphenylundeca-2,4,7,9-tetraen-2-amine has a molecular weight of 315.46 g/mol, XLogP of 5.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-diphenylundeca-2,4,7,9-tetraen-2-amine is sourced from PubChem (CID 123327967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).