1-phenanthren-1-yl-2-phenylethenamine

C22H17N — CID 87989859

IUPAC1-phenanthren-1-yl-2-phenylethenamine
SMILESNC(=Cc1ccccc1)c1cccc2c1ccc1ccccc12
InChIInChI=1S/C22H17N/c23-22(15-16-7-2-1-3-8-16)21-12-6-11-19-18-10-5-4-9-17(18)13-14-20(19)21/h1-15H,23H2
InChIKeyZLIPHFPGMBIWSR-UHFFFAOYSA-N
MW295.38 g/mol
LogP5.45
Rot. Bonds2

About 1-phenanthren-1-yl-2-phenylethenamine

1-phenanthren-1-yl-2-phenylethenamine (PubChem CID 87989859) has the molecular formula C22H17N and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-phenanthren-1-yl-2-phenylethenamine.

Molecular Properties

Compound Name1-phenanthren-1-yl-2-phenylethenamine
PubChem CID87989859
Molecular FormulaC22H17N
Molecular Weight295.38 g/mol
Exact Mass295.14
IUPAC Name1-phenanthren-1-yl-2-phenylethenamine
SMILESNC(=Cc1ccccc1)c1cccc2c1ccc1ccccc12
InChIInChI=1S/C22H17N/c23-22(15-16-7-2-1-3-8-16)21-12-6-11-19-18-10-5-4-9-17(18)13-14-20(19)21/h1-15H,23H2
InChIKeyZLIPHFPGMBIWSR-UHFFFAOYSA-N
XLogP5.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.38
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenanthren-1-yl-2-phenylethenamine?
The IUPAC name of 1-phenanthren-1-yl-2-phenylethenamine (CID 87989859) is 1-phenanthren-1-yl-2-phenylethenamine.
What is the SMILES notation for 1-phenanthren-1-yl-2-phenylethenamine?
The canonical SMILES for 1-phenanthren-1-yl-2-phenylethenamine is NC(=Cc1ccccc1)c1cccc2c1ccc1ccccc12.
What is the InChIKey of 1-phenanthren-1-yl-2-phenylethenamine?
The InChIKey is ZLIPHFPGMBIWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N/c23-22(15-16-7-2-1-3-8-16)21-12-6-11-19-18-10-5-4-9-17(18)13-14-20(19)21/h1-15H,23H2.
What are the key properties of 1-phenanthren-1-yl-2-phenylethenamine?
1-phenanthren-1-yl-2-phenylethenamine has a molecular weight of 295.38 g/mol, XLogP of 5.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenanthren-1-yl-2-phenylethenamine is sourced from PubChem (CID 87989859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).