bis[4-(4-iodobenzoyl)phenyl]methanone

C27H16I2O3 — CID 22494471

IUPACbis[4-(4-iodobenzoyl)phenyl]methanone
SMILESO=C(c1ccc(I)cc1)c1ccc(C(=O)c2ccc(C(=O)c3ccc(I)cc3)cc2)cc1
InChIInChI=1S/C27H16I2O3/c28-23-13-9-21(10-14-23)26(31)19-5-1-17(2-6-19)25(30)18-3-7-20(8-4-18)27(32)22-11-15-24(29)16-12-22/h1-16H
InChIKeyQZPZDPHBNCKGTE-UHFFFAOYSA-N
MW642.23 g/mol
LogP6.59
Rot. Bonds6

About bis[4-(4-iodobenzoyl)phenyl]methanone

bis[4-(4-iodobenzoyl)phenyl]methanone (PubChem CID 22494471) has the molecular formula C27H16I2O3 and a molecular weight of 642.23 g/mol. Its IUPAC name is bis[4-(4-iodobenzoyl)phenyl]methanone.

Molecular Properties

Compound Namebis[4-(4-iodobenzoyl)phenyl]methanone
PubChem CID22494471
Molecular FormulaC27H16I2O3
Molecular Weight642.23 g/mol
Exact Mass641.92
IUPAC Namebis[4-(4-iodobenzoyl)phenyl]methanone
SMILESO=C(c1ccc(I)cc1)c1ccc(C(=O)c2ccc(C(=O)c3ccc(I)cc3)cc2)cc1
InChIInChI=1S/C27H16I2O3/c28-23-13-9-21(10-14-23)26(31)19-5-1-17(2-6-19)25(30)18-3-7-20(8-4-18)27(32)22-11-15-24(29)16-12-22/h1-16H
InChIKeyQZPZDPHBNCKGTE-UHFFFAOYSA-N
XLogP6.59
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.23
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3,4-difluorophenyl)-(4-iodophenyl)methanone
CID 24723141
N-[4-(4-iodobenzoyl)phenyl]acetamide
CID 43337938
4,6-bis(4-iodobenzoyl)benzene-1,3-dicarboxylic acid
CID 23586577
(4-iodophenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 43338104
(3-chloro-4-hydroxyphenyl)-(4-iodophenyl)methanone
CID 19043713
(3,5-dimethoxyphenyl)-(4-iodophenyl)methanone
CID 24723154
(4-fluorophenyl)-[4-[2-[4-(4-iodobenzoyl)phenyl]ethynyl]phenyl]methanone
CID 70875973
4-iodobenzoic acid;nickel
CID 54603201
(4-chloro-3-methylphenyl)-(4-iodophenyl)methanone
CID 24723124
ethane;1-(4-iodophenyl)ethanone
CID 159760217
1,3-bis(4-iodophenyl)propane-1,3-dione
CID 15256965
(4-iodobenzoyl) 4-iodobenzenecarboperoxoate
CID 141495091

Frequently Asked Questions

What is the IUPAC name of bis[4-(4-iodobenzoyl)phenyl]methanone?
The IUPAC name of bis[4-(4-iodobenzoyl)phenyl]methanone (CID 22494471) is bis[4-(4-iodobenzoyl)phenyl]methanone.
What is the SMILES notation for bis[4-(4-iodobenzoyl)phenyl]methanone?
The canonical SMILES for bis[4-(4-iodobenzoyl)phenyl]methanone is O=C(c1ccc(I)cc1)c1ccc(C(=O)c2ccc(C(=O)c3ccc(I)cc3)cc2)cc1.
What is the InChIKey of bis[4-(4-iodobenzoyl)phenyl]methanone?
The InChIKey is QZPZDPHBNCKGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16I2O3/c28-23-13-9-21(10-14-23)26(31)19-5-1-17(2-6-19)25(30)18-3-7-20(8-4-18)27(32)22-11-15-24(29)16-12-22/h1-16H.
What are the key properties of bis[4-(4-iodobenzoyl)phenyl]methanone?
bis[4-(4-iodobenzoyl)phenyl]methanone has a molecular weight of 642.23 g/mol, XLogP of 6.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(4-iodobenzoyl)phenyl]methanone is sourced from PubChem (CID 22494471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).