2',3-bis(1,10-phenanthrolin-2-yl)spiro[anthracene-10,9'-fluorene]-9-one

C50H28N4O — CID 59096347

IUPAC2',3-bis(1,10-phenanthrolin-2-yl)spiro[anthracene-10,9'-fluorene]-9-one
SMILESO=C1c2ccccc2C2(c3cc(-c4ccc5ccc6cccnc6c5n4)ccc31)c1ccccc1-c1ccc(-c3ccc4ccc5cccnc5c4n3)cc12
InChIInChI=1S/C50H28N4O/c55-49-37-10-2-4-12-40(37)50(42-28-34(18-22-38(42)49)44-24-20-32-16-14-30-8-6-26-52-46(30)48(32)54-44)39-11-3-1-9-35(39)36-21-17-33(27-41(36)50)43-23-19-31-15-13-29-7-5-25-51-45(29)47(31)53-43/h1-28H
InChIKeySFISKLJLXXMCRP-UHFFFAOYSA-N
MW700.80 g/mol
LogP11.12
Rot. Bonds2

About 2',3-bis(1,10-phenanthrolin-2-yl)spiro[anthracene-10,9'-fluorene]-9-one

2',3-bis(1,10-phenanthrolin-2-yl)spiro[anthracene-10,9'-fluorene]-9-one (PubChem CID 59096347) has the molecular formula C50H28N4O and a molecular weight of 700.80 g/mol. Its IUPAC name is 2',3-bis(1,10-phenanthrolin-2-yl)spiro[anthracene-10,9'-fluorene]-9-one.

Molecular Properties

Compound Name2',3-bis(1,10-phenanthrolin-2-yl)spiro[anthracene-10,9'-fluorene]-9-one
PubChem CID59096347
Molecular FormulaC50H28N4O
Molecular Weight700.80 g/mol
Exact Mass700.23
IUPAC Name2',3-bis(1,10-phenanthrolin-2-yl)spiro[anthracene-10,9'-fluorene]-9-one
SMILESO=C1c2ccccc2C2(c3cc(-c4ccc5ccc6cccnc6c5n4)ccc31)c1ccccc1-c1ccc(-c3ccc4ccc5cccnc5c4n3)cc12
InChIInChI=1S/C50H28N4O/c55-49-37-10-2-4-12-40(37)50(42-28-34(18-22-38(42)49)44-24-20-32-16-14-30-8-6-26-52-46(30)48(32)54-44)39-11-3-1-9-35(39)36-21-17-33(27-41(36)50)43-23-19-31-15-13-29-7-5-25-51-45(29)47(31)53-43/h1-28H
InChIKeySFISKLJLXXMCRP-UHFFFAOYSA-N
XLogP11.12
TPSA68.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.80
LogP ≤ 511.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2',3-bis(1,10-phenanthrolin-2-yl)spiro[anthracene-10,9'-fluorene]-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2',3-bis(1,10-phenanthrolin-2-yl)spiro[anthracene-10,9'-fluorene]-9-one?
The IUPAC name of 2',3-bis(1,10-phenanthrolin-2-yl)spiro[anthracene-10,9'-fluorene]-9-one (CID 59096347) is 2',3-bis(1,10-phenanthrolin-2-yl)spiro[anthracene-10,9'-fluorene]-9-one.
What is the SMILES notation for 2',3-bis(1,10-phenanthrolin-2-yl)spiro[anthracene-10,9'-fluorene]-9-one?
The canonical SMILES for 2',3-bis(1,10-phenanthrolin-2-yl)spiro[anthracene-10,9'-fluorene]-9-one is O=C1c2ccccc2C2(c3cc(-c4ccc5ccc6cccnc6c5n4)ccc31)c1ccccc1-c1ccc(-c3ccc4ccc5cccnc5c4n3)cc12.
What is the InChIKey of 2',3-bis(1,10-phenanthrolin-2-yl)spiro[anthracene-10,9'-fluorene]-9-one?
The InChIKey is SFISKLJLXXMCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28N4O/c55-49-37-10-2-4-12-40(37)50(42-28-34(18-22-38(42)49)44-24-20-32-16-14-30-8-6-26-52-46(30)48(32)54-44)39-11-3-1-9-35(39)36-21-17-33(27-41(36)50)43-23-19-31-15-13-29-7-5-25-51-45(29)47(31)53-43/h1-28H.
What are the key properties of 2',3-bis(1,10-phenanthrolin-2-yl)spiro[anthracene-10,9'-fluorene]-9-one?
2',3-bis(1,10-phenanthrolin-2-yl)spiro[anthracene-10,9'-fluorene]-9-one has a molecular weight of 700.80 g/mol, XLogP of 11.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2',3-bis(1,10-phenanthrolin-2-yl)spiro[anthracene-10,9'-fluorene]-9-one is sourced from PubChem (CID 59096347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).