acetic acid;azane;2,6-bis(4-iodophenyl)-4-(4-phenylphenyl)pyridine;1-(4-iodophenyl)ethanone;methane;4-phenylbenzaldehyde

C55H51I3N2O6 — CID 159297036

IUPACacetic acid;azane;2,6-bis(4-iodophenyl)-4-(4-phenylphenyl)pyridine;1-(4-iodophenyl)ethanone;methane;4-phenylbenzaldehyde
SMILESC.CC(=O)O.CC(=O)O.CC(=O)c1ccc(I)cc1.Ic1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccc(I)cc3)n2)cc1.N.O=Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H19I2N.C13H10O.C8H7IO.2C2H4O2.CH4.H3N/c30-26-14-10-23(11-15-26)28-18-25(19-29(32-28)24-12-16-27(31)17-13-24)22-8-6-21(7-9-22)20-4-2-1-3-5-20;14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;1-6(10)7-2-4-8(9)5-3-7;2*1-2(3)4;;/h1-19H;1-10H;2-5H,1H3;2*1H3,(H,3,4);1H4;1H3
InChIKeyWVVRYAVCMCKZLF-UHFFFAOYSA-N
MW1216.73 g/mol
LogP15.60
Rot. Bonds7

About acetic acid;azane;2,6-bis(4-iodophenyl)-4-(4-phenylphenyl)pyridine;1-(4-iodophenyl)ethanone;methane;4-phenylbenzaldehyde

acetic acid;azane;2,6-bis(4-iodophenyl)-4-(4-phenylphenyl)pyridine;1-(4-iodophenyl)ethanone;methane;4-phenylbenzaldehyde (PubChem CID 159297036) has the molecular formula C55H51I3N2O6 and a molecular weight of 1216.73 g/mol. Its IUPAC name is acetic acid;azane;2,6-bis(4-iodophenyl)-4-(4-phenylphenyl)pyridine;1-(4-iodophenyl)ethanone;methane;4-phenylbenzaldehyde.

Molecular Properties

Compound Nameacetic acid;azane;2,6-bis(4-iodophenyl)-4-(4-phenylphenyl)pyridine;1-(4-iodophenyl)ethanone;methane;4-phenylbenzaldehyde
PubChem CID159297036
Molecular FormulaC55H51I3N2O6
Molecular Weight1216.73 g/mol
Exact Mass1216.09
IUPAC Nameacetic acid;azane;2,6-bis(4-iodophenyl)-4-(4-phenylphenyl)pyridine;1-(4-iodophenyl)ethanone;methane;4-phenylbenzaldehyde
SMILESC.CC(=O)O.CC(=O)O.CC(=O)c1ccc(I)cc1.Ic1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccc(I)cc3)n2)cc1.N.O=Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H19I2N.C13H10O.C8H7IO.2C2H4O2.CH4.H3N/c30-26-14-10-23(11-15-26)28-18-25(19-29(32-28)24-12-16-27(31)17-13-24)22-8-6-21(7-9-22)20-4-2-1-3-5-20;14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;1-6(10)7-2-4-8(9)5-3-7;2*1-2(3)4;;/h1-19H;1-10H;2-5H,1H3;2*1H3,(H,3,4);1H4;1H3
InChIKeyWVVRYAVCMCKZLF-UHFFFAOYSA-N
XLogP15.60
TPSA156.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001216.73
LogP ≤ 515.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze acetic acid;azane;2,6-bis(4-iodophenyl)-4-(4-phenylphenyl)pyridine;1-(4-iodophenyl)ethanone;methane;4-phenylbenzaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

4-(2,6-Diphenyl-4-pyridinyl)benzaldehyde
CID 15529647
[4-[6-(4-Benzoylphenyl)-2-pyridinyl]phenyl]-phenylmethanone
CID 57249372
(2,5-Dimethylphenyl)-[3-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]methanone
CID 57789533
[3-[6-[3-(4-Methylbenzoyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-(4-methylphenyl)methanone
CID 57864973
(E)-3-[3-[6-[3-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-4-phenyl-2-pyridinyl]phenyl]-1-phenylprop-2-en-1-one
CID 58692997
1-(6-Acetyl-2-pyridinyl)ethanone;bis(triphenylmethanamine)
CID 69889223
3-[3-[6-[3-(3-Oxo-3-phenylprop-1-enyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-1-phenylprop-2-en-1-one
CID 72393923
1-(6-acetyl-2-pyridinyl)ethanone;bis(N,1,1-triphenylmethanimine)
CID 88038786
4,4',4''-(Pyridine-2,4,6-triyl)tribenzaldehyde
CID 139034550
[6-[4-(2,5-Dimethylbenzoyl)-2,3-dimethylbenzoyl]-2-pyridinyl]-[4-(2,5-dimethylbenzoyl)-2,3-dimethylphenyl]methanone
CID 141022241
butane;ethene;(4-methylphenyl)-[3-[6-[5-[(Z)-1-(4-methylphenyl)but-1-enyl]cyclohepta-1,3,6-trien-1-yl]-4-phenyl-2-pyridinyl]phenyl]methanone
CID 143332125
ethane;1-[3-ethenyl-6-[4-(4-methylphenyl)phenyl]-2-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone;methanol;propan-1-ol
CID 145464947

Frequently Asked Questions

What is the IUPAC name of acetic acid;azane;2,6-bis(4-iodophenyl)-4-(4-phenylphenyl)pyridine;1-(4-iodophenyl)ethanone;methane;4-phenylbenzaldehyde?
The IUPAC name of acetic acid;azane;2,6-bis(4-iodophenyl)-4-(4-phenylphenyl)pyridine;1-(4-iodophenyl)ethanone;methane;4-phenylbenzaldehyde (CID 159297036) is acetic acid;azane;2,6-bis(4-iodophenyl)-4-(4-phenylphenyl)pyridine;1-(4-iodophenyl)ethanone;methane;4-phenylbenzaldehyde.
What is the SMILES notation for acetic acid;azane;2,6-bis(4-iodophenyl)-4-(4-phenylphenyl)pyridine;1-(4-iodophenyl)ethanone;methane;4-phenylbenzaldehyde?
The canonical SMILES for acetic acid;azane;2,6-bis(4-iodophenyl)-4-(4-phenylphenyl)pyridine;1-(4-iodophenyl)ethanone;methane;4-phenylbenzaldehyde is C.CC(=O)O.CC(=O)O.CC(=O)c1ccc(I)cc1.Ic1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccc(I)cc3)n2)cc1.N.O=Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of acetic acid;azane;2,6-bis(4-iodophenyl)-4-(4-phenylphenyl)pyridine;1-(4-iodophenyl)ethanone;methane;4-phenylbenzaldehyde?
The InChIKey is WVVRYAVCMCKZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19I2N.C13H10O.C8H7IO.2C2H4O2.CH4.H3N/c30-26-14-10-23(11-15-26)28-18-25(19-29(32-28)24-12-16-27(31)17-13-24)22-8-6-21(7-9-22)20-4-2-1-3-5-20;14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;1-6(10)7-2-4-8(9)5-3-7;2*1-2(3)4;;/h1-19H;1-10H;2-5H,1H3;2*1H3,(H,3,4);1H4;1H3.
What are the key properties of acetic acid;azane;2,6-bis(4-iodophenyl)-4-(4-phenylphenyl)pyridine;1-(4-iodophenyl)ethanone;methane;4-phenylbenzaldehyde?
acetic acid;azane;2,6-bis(4-iodophenyl)-4-(4-phenylphenyl)pyridine;1-(4-iodophenyl)ethanone;methane;4-phenylbenzaldehyde has a molecular weight of 1216.73 g/mol, XLogP of 15.60, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;azane;2,6-bis(4-iodophenyl)-4-(4-phenylphenyl)pyridine;1-(4-iodophenyl)ethanone;methane;4-phenylbenzaldehyde is sourced from PubChem (CID 159297036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).