3-[10,10-bis(prop-2-enyl)anthracen-9-ylidene]-N,N-dimethylpropan-1-amine

C25H29N — CID 1203583

IUPAC3-[10,10-bis(prop-2-enyl)anthracen-9-ylidene]-N,N-dimethylpropan-1-amine
SMILESC=CCC1(CC=C)c2ccccc2C(=CCCN(C)C)c2ccccc21
InChIInChI=1S/C25H29N/c1-5-17-25(18-6-2)23-15-9-7-12-21(23)20(14-11-19-26(3)4)22-13-8-10-16-24(22)25/h5-10,12-16H,1-2,11,17-19H2,3-4H3
InChIKeyCZKYUQVWCSHJHO-UHFFFAOYSA-N
MW343.51 g/mol
LogP5.82
Rot. Bonds7

About 3-[10,10-bis(prop-2-enyl)anthracen-9-ylidene]-N,N-dimethylpropan-1-amine

3-[10,10-bis(prop-2-enyl)anthracen-9-ylidene]-N,N-dimethylpropan-1-amine (PubChem CID 1203583) has the molecular formula C25H29N and a molecular weight of 343.51 g/mol. Its IUPAC name is 3-[10,10-bis(prop-2-enyl)anthracen-9-ylidene]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[10,10-bis(prop-2-enyl)anthracen-9-ylidene]-N,N-dimethylpropan-1-amine
PubChem CID1203583
Molecular FormulaC25H29N
Molecular Weight343.51 g/mol
Exact Mass343.23
IUPAC Name3-[10,10-bis(prop-2-enyl)anthracen-9-ylidene]-N,N-dimethylpropan-1-amine
SMILESC=CCC1(CC=C)c2ccccc2C(=CCCN(C)C)c2ccccc21
InChIInChI=1S/C25H29N/c1-5-17-25(18-6-2)23-15-9-7-12-21(23)20(14-11-19-26(3)4)22-13-8-10-16-24(22)25/h5-10,12-16H,1-2,11,17-19H2,3-4H3
InChIKeyCZKYUQVWCSHJHO-UHFFFAOYSA-N
XLogP5.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.51
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_B(8)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[10,10-bis(prop-2-enyl)anthracen-9-ylidene]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[10,10-bis(prop-2-enyl)anthracen-9-ylidene]-N,N-dimethylpropan-1-amine (CID 1203583) is 3-[10,10-bis(prop-2-enyl)anthracen-9-ylidene]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[10,10-bis(prop-2-enyl)anthracen-9-ylidene]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[10,10-bis(prop-2-enyl)anthracen-9-ylidene]-N,N-dimethylpropan-1-amine is C=CCC1(CC=C)c2ccccc2C(=CCCN(C)C)c2ccccc21.
What is the InChIKey of 3-[10,10-bis(prop-2-enyl)anthracen-9-ylidene]-N,N-dimethylpropan-1-amine?
The InChIKey is CZKYUQVWCSHJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N/c1-5-17-25(18-6-2)23-15-9-7-12-21(23)20(14-11-19-26(3)4)22-13-8-10-16-24(22)25/h5-10,12-16H,1-2,11,17-19H2,3-4H3.
What are the key properties of 3-[10,10-bis(prop-2-enyl)anthracen-9-ylidene]-N,N-dimethylpropan-1-amine?
3-[10,10-bis(prop-2-enyl)anthracen-9-ylidene]-N,N-dimethylpropan-1-amine has a molecular weight of 343.51 g/mol, XLogP of 5.82, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10,10-bis(prop-2-enyl)anthracen-9-ylidene]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 1203583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).