(2,3,4-triphenylcyclopenta-1,3-dien-1-yl)benzene;vanadium

C29H21V- — CID 173257937

IUPAC(2,3,4-triphenylcyclopenta-1,3-dien-1-yl)benzene;vanadium
SMILES[V].c1ccc(-c2[cH-]c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C29H21.V/c1-5-13-22(14-6-1)26-21-27(23-15-7-2-8-16-23)29(25-19-11-4-12-20-25)28(26)24-17-9-3-10-18-24;/h1-21H;/q-1;
InChIKeyYNRIWHVXZTYBJH-UHFFFAOYSA-N
MW420.43 g/mol
LogP8.07
Rot. Bonds4

About (2,3,4-triphenylcyclopenta-1,3-dien-1-yl)benzene;vanadium

(2,3,4-triphenylcyclopenta-1,3-dien-1-yl)benzene;vanadium (PubChem CID 173257937) has the molecular formula C29H21V- and a molecular weight of 420.43 g/mol. Its IUPAC name is (2,3,4-triphenylcyclopenta-1,3-dien-1-yl)benzene;vanadium.

Molecular Properties

Compound Name(2,3,4-triphenylcyclopenta-1,3-dien-1-yl)benzene;vanadium
PubChem CID173257937
Molecular FormulaC29H21V-
Molecular Weight420.43 g/mol
Exact Mass420.11
IUPAC Name(2,3,4-triphenylcyclopenta-1,3-dien-1-yl)benzene;vanadium
SMILES[V].c1ccc(-c2[cH-]c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C29H21.V/c1-5-13-22(14-6-1)26-21-27(23-15-7-2-8-16-23)29(25-19-11-4-12-20-25)28(26)24-17-9-3-10-18-24;/h1-21H;/q-1;
InChIKeyYNRIWHVXZTYBJH-UHFFFAOYSA-N
XLogP8.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.43
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2,3,4-triphenylcyclopenta-1,3-dien-1-yl)benzene;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

CID 160856423
CID 160856423
tris(2,3,4,5,6-pentakis-phenylphenyl)alumane
CID 177448020
benzene;tris(1,1'-biphenyl)
CID 162155747
2-hydroxy-4,5,6,7-tetraphenylisoindole-1,3-dione
CID 11328819
2-phenyl-3-sulfanylcycloprop-2-en-1-one
CID 12695478
2,4,6-triphenylbenzene-1,3,5-triamine
CID 22926582
tris(1,1'-biphenyl);N,N-diphenylaniline
CID 175290151
CID 162140615
CID 162140615
1,1'-biphenyl;mercury
CID 67099988
1,1'-biphenyl;hydrofluoride
CID 67516975
CID 53446764
CID 53446764
bis(1,1'-biphenyl);sulfane
CID 22247507

Frequently Asked Questions

What is the IUPAC name of (2,3,4-triphenylcyclopenta-1,3-dien-1-yl)benzene;vanadium?
The IUPAC name of (2,3,4-triphenylcyclopenta-1,3-dien-1-yl)benzene;vanadium (CID 173257937) is (2,3,4-triphenylcyclopenta-1,3-dien-1-yl)benzene;vanadium.
What is the SMILES notation for (2,3,4-triphenylcyclopenta-1,3-dien-1-yl)benzene;vanadium?
The canonical SMILES for (2,3,4-triphenylcyclopenta-1,3-dien-1-yl)benzene;vanadium is [V].c1ccc(-c2[cH-]c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of (2,3,4-triphenylcyclopenta-1,3-dien-1-yl)benzene;vanadium?
The InChIKey is YNRIWHVXZTYBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21.V/c1-5-13-22(14-6-1)26-21-27(23-15-7-2-8-16-23)29(25-19-11-4-12-20-25)28(26)24-17-9-3-10-18-24;/h1-21H;/q-1;.
What are the key properties of (2,3,4-triphenylcyclopenta-1,3-dien-1-yl)benzene;vanadium?
(2,3,4-triphenylcyclopenta-1,3-dien-1-yl)benzene;vanadium has a molecular weight of 420.43 g/mol, XLogP of 8.07, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4-triphenylcyclopenta-1,3-dien-1-yl)benzene;vanadium is sourced from PubChem (CID 173257937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).