2,9-bis(2-bicyclo[2.2.1]hept-2-enyl)-1,10-phenanthroline

C26H24N2 — CID 123376738

IUPAC2,9-bis(2-bicyclo[2.2.1]hept-2-enyl)-1,10-phenanthroline
SMILESC1=C(c2ccc3ccc4ccc(C5=CC6CCC5C6)nc4c3n2)C2CCC1C2
InChIInChI=1S/C26H24N2/c1-3-19-11-15(1)13-21(19)23-9-7-17-5-6-18-8-10-24(28-26(18)25(17)27-23)22-14-16-2-4-20(22)12-16/h5-10,13-16,19-20H,1-4,11-12H2
InChIKeyKLFOCEXYHXVJPU-UHFFFAOYSA-N
MW364.49 g/mol
LogP6.41
Rot. Bonds2

About 2,9-bis(2-bicyclo[2.2.1]hept-2-enyl)-1,10-phenanthroline

2,9-bis(2-bicyclo[2.2.1]hept-2-enyl)-1,10-phenanthroline (PubChem CID 123376738) has the molecular formula C26H24N2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2,9-bis(2-bicyclo[2.2.1]hept-2-enyl)-1,10-phenanthroline.

Molecular Properties

Compound Name2,9-bis(2-bicyclo[2.2.1]hept-2-enyl)-1,10-phenanthroline
PubChem CID123376738
Molecular FormulaC26H24N2
Molecular Weight364.49 g/mol
Exact Mass364.19
IUPAC Name2,9-bis(2-bicyclo[2.2.1]hept-2-enyl)-1,10-phenanthroline
SMILESC1=C(c2ccc3ccc4ccc(C5=CC6CCC5C6)nc4c3n2)C2CCC1C2
InChIInChI=1S/C26H24N2/c1-3-19-11-15(1)13-21(19)23-9-7-17-5-6-18-8-10-24(28-26(18)25(17)27-23)22-14-16-2-4-20(22)12-16/h5-10,13-16,19-20H,1-4,11-12H2
InChIKeyKLFOCEXYHXVJPU-UHFFFAOYSA-N
XLogP6.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,9-bis(2-bicyclo[2.2.1]hept-2-enyl)-1,10-phenanthroline?
The IUPAC name of 2,9-bis(2-bicyclo[2.2.1]hept-2-enyl)-1,10-phenanthroline (CID 123376738) is 2,9-bis(2-bicyclo[2.2.1]hept-2-enyl)-1,10-phenanthroline.
What is the SMILES notation for 2,9-bis(2-bicyclo[2.2.1]hept-2-enyl)-1,10-phenanthroline?
The canonical SMILES for 2,9-bis(2-bicyclo[2.2.1]hept-2-enyl)-1,10-phenanthroline is C1=C(c2ccc3ccc4ccc(C5=CC6CCC5C6)nc4c3n2)C2CCC1C2.
What is the InChIKey of 2,9-bis(2-bicyclo[2.2.1]hept-2-enyl)-1,10-phenanthroline?
The InChIKey is KLFOCEXYHXVJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2/c1-3-19-11-15(1)13-21(19)23-9-7-17-5-6-18-8-10-24(28-26(18)25(17)27-23)22-14-16-2-4-20(22)12-16/h5-10,13-16,19-20H,1-4,11-12H2.
What are the key properties of 2,9-bis(2-bicyclo[2.2.1]hept-2-enyl)-1,10-phenanthroline?
2,9-bis(2-bicyclo[2.2.1]hept-2-enyl)-1,10-phenanthroline has a molecular weight of 364.49 g/mol, XLogP of 6.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-bis(2-bicyclo[2.2.1]hept-2-enyl)-1,10-phenanthroline is sourced from PubChem (CID 123376738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).