2,7-bis[2-(3-iodophenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one

C43H26I2N4O — CID 3112521

IUPAC2,7-bis[2-(3-iodophenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one
SMILESO=C1c2cc(-c3nc(-c4cccc(I)c4)[nH]c3-c3ccccc3)ccc2-c2ccc(-c3nc(-c4cccc(I)c4)[nH]c3-c3ccccc3)cc21
InChIInChI=1S/C43H26I2N4O/c44-31-15-7-13-29(21-31)42-46-37(25-9-3-1-4-10-25)39(48-42)27-17-19-33-34-20-18-28(24-36(34)41(50)35(33)23-27)40-38(26-11-5-2-6-12-26)47-43(49-40)30-14-8-16-32(45)22-30/h1-24H,(H,46,48)(H,47,49)
InChIKeyMIOMSYKFINTZRZ-UHFFFAOYSA-N
MW868.52 g/mol
LogP11.56
Rot. Bonds6

About 2,7-bis[2-(3-iodophenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one

2,7-bis[2-(3-iodophenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one (PubChem CID 3112521) has the molecular formula C43H26I2N4O and a molecular weight of 868.52 g/mol. Its IUPAC name is 2,7-bis[2-(3-iodophenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one.

Molecular Properties

Compound Name2,7-bis[2-(3-iodophenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one
PubChem CID3112521
Molecular FormulaC43H26I2N4O
Molecular Weight868.52 g/mol
Exact Mass868.02
IUPAC Name2,7-bis[2-(3-iodophenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one
SMILESO=C1c2cc(-c3nc(-c4cccc(I)c4)[nH]c3-c3ccccc3)ccc2-c2ccc(-c3nc(-c4cccc(I)c4)[nH]c3-c3ccccc3)cc21
InChIInChI=1S/C43H26I2N4O/c44-31-15-7-13-29(21-31)42-46-37(25-9-3-1-4-10-25)39(48-42)27-17-19-33-34-20-18-28(24-36(34)41(50)35(33)23-27)40-38(26-11-5-2-6-12-26)47-43(49-40)30-14-8-16-32(45)22-30/h1-24H,(H,46,48)(H,47,49)
InChIKeyMIOMSYKFINTZRZ-UHFFFAOYSA-N
XLogP11.56
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.52
LogP ≤ 511.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2,7-bis[2-(3-iodophenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-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 2,7-bis[2-(3-iodophenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one?
The IUPAC name of 2,7-bis[2-(3-iodophenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one (CID 3112521) is 2,7-bis[2-(3-iodophenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one.
What is the SMILES notation for 2,7-bis[2-(3-iodophenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one?
The canonical SMILES for 2,7-bis[2-(3-iodophenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one is O=C1c2cc(-c3nc(-c4cccc(I)c4)[nH]c3-c3ccccc3)ccc2-c2ccc(-c3nc(-c4cccc(I)c4)[nH]c3-c3ccccc3)cc21.
What is the InChIKey of 2,7-bis[2-(3-iodophenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one?
The InChIKey is MIOMSYKFINTZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26I2N4O/c44-31-15-7-13-29(21-31)42-46-37(25-9-3-1-4-10-25)39(48-42)27-17-19-33-34-20-18-28(24-36(34)41(50)35(33)23-27)40-38(26-11-5-2-6-12-26)47-43(49-40)30-14-8-16-32(45)22-30/h1-24H,(H,46,48)(H,47,49).
What are the key properties of 2,7-bis[2-(3-iodophenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one?
2,7-bis[2-(3-iodophenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one has a molecular weight of 868.52 g/mol, XLogP of 11.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[2-(3-iodophenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one is sourced from PubChem (CID 3112521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).