diiodovanadium;2-(4-phenylphenyl)acetic acid;2-(4-phenylphenyl)acetonitrile;vanadium

C28H23I2NO2V2 — CID 157274616

IUPACdiiodovanadium;2-(4-phenylphenyl)acetic acid;2-(4-phenylphenyl)acetonitrile;vanadium
SMILESI[V]I.N#CCc1ccc(-c2ccccc2)cc1.O=C(O)Cc1ccc(-c2ccccc2)cc1.[V]
InChIInChI=1S/C14H11N.C14H12O2.2HI.2V/c15-11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13;15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;;;;/h1-9H,10H2;1-9H,10H2,(H,15,16);2*1H;;/q;;;;;+2/p-2
InChIKeyAYYHNOFHGYINMZ-UHFFFAOYSA-L
MW761.19 g/mol
LogP8.17
Rot. Bonds5

About diiodovanadium;2-(4-phenylphenyl)acetic acid;2-(4-phenylphenyl)acetonitrile;vanadium

diiodovanadium;2-(4-phenylphenyl)acetic acid;2-(4-phenylphenyl)acetonitrile;vanadium (PubChem CID 157274616) has the molecular formula C28H23I2NO2V2 and a molecular weight of 761.19 g/mol. Its IUPAC name is diiodovanadium;2-(4-phenylphenyl)acetic acid;2-(4-phenylphenyl)acetonitrile;vanadium.

Molecular Properties

Compound Namediiodovanadium;2-(4-phenylphenyl)acetic acid;2-(4-phenylphenyl)acetonitrile;vanadium
PubChem CID157274616
Molecular FormulaC28H23I2NO2V2
Molecular Weight761.19 g/mol
Exact Mass760.87
IUPAC Namediiodovanadium;2-(4-phenylphenyl)acetic acid;2-(4-phenylphenyl)acetonitrile;vanadium
SMILESI[V]I.N#CCc1ccc(-c2ccccc2)cc1.O=C(O)Cc1ccc(-c2ccccc2)cc1.[V]
InChIInChI=1S/C14H11N.C14H12O2.2HI.2V/c15-11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13;15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;;;;/h1-9H,10H2;1-9H,10H2,(H,15,16);2*1H;;/q;;;;;+2/p-2
InChIKeyAYYHNOFHGYINMZ-UHFFFAOYSA-L
XLogP8.17
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.19
LogP ≤ 58.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze diiodovanadium;2-(4-phenylphenyl)acetic acid;2-(4-phenylphenyl)acetonitrile;vanadium 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

N-[4-(cyanomethyl)phenyl]-2-(4-phenylphenyl)acetamide
CID 26374350
calcium;hydride;2-(4-phenylphenyl)acetic acid
CID 174946649
2-phenylacetic acid;dihydrate
CID 168967514
acetic acid;2-phenylacetonitrile
CID 67811992
2-[4-[4-(aminomethyl)phenyl]phenyl]acetic acid
CID 1394294
N-[4-(cyanomethyl)phenyl]-2-phenylacetamide
CID 674697
2-(4-benzoylphenyl)acetonitrile
CID 12827846
2-[4-(3-hydroxyphenyl)phenyl]acetonitrile
CID 70503245
1-aminopropan-1-ol;2-(4-phenylphenyl)acetic acid;hydrochloride
CID 86623035
2-(dimethylamino)ethanol;2-(4-phenylphenyl)acetic acid
CID 174946670
2-phenylacetic acid;silver
CID 50912513
copper 2-phenylacetic acid
CID 54609410

Frequently Asked Questions

What is the IUPAC name of diiodovanadium;2-(4-phenylphenyl)acetic acid;2-(4-phenylphenyl)acetonitrile;vanadium?
The IUPAC name of diiodovanadium;2-(4-phenylphenyl)acetic acid;2-(4-phenylphenyl)acetonitrile;vanadium (CID 157274616) is diiodovanadium;2-(4-phenylphenyl)acetic acid;2-(4-phenylphenyl)acetonitrile;vanadium.
What is the SMILES notation for diiodovanadium;2-(4-phenylphenyl)acetic acid;2-(4-phenylphenyl)acetonitrile;vanadium?
The canonical SMILES for diiodovanadium;2-(4-phenylphenyl)acetic acid;2-(4-phenylphenyl)acetonitrile;vanadium is I[V]I.N#CCc1ccc(-c2ccccc2)cc1.O=C(O)Cc1ccc(-c2ccccc2)cc1.[V].
What is the InChIKey of diiodovanadium;2-(4-phenylphenyl)acetic acid;2-(4-phenylphenyl)acetonitrile;vanadium?
The InChIKey is AYYHNOFHGYINMZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H11N.C14H12O2.2HI.2V/c15-11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13;15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;;;;/h1-9H,10H2;1-9H,10H2,(H,15,16);2*1H;;/q;;;;;+2/p-2.
What are the key properties of diiodovanadium;2-(4-phenylphenyl)acetic acid;2-(4-phenylphenyl)acetonitrile;vanadium?
diiodovanadium;2-(4-phenylphenyl)acetic acid;2-(4-phenylphenyl)acetonitrile;vanadium has a molecular weight of 761.19 g/mol, XLogP of 8.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diiodovanadium;2-(4-phenylphenyl)acetic acid;2-(4-phenylphenyl)acetonitrile;vanadium is sourced from PubChem (CID 157274616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).