bromobenzene;iodoform;iodomethane;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline;2-[3-[(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine;vanadium;triiodide

C59H47BrI7N5V-2 — CID 159100057

IUPACbromobenzene;iodoform;iodomethane;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline;2-[3-[(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine;vanadium;triiodide
SMILESBrc1ccccc1.IC(I)I.I[I-]I.[CH2-]I.[V].c1ccc(-c2cccc(Cc3cccc(-c4ccccn4)c3)c2)nc1.c1ccc(N(c2cccc(-c3ccccn3)c2)c2cccc(-c3ccccn3)c2)cc1
InChIInChI=1S/C28H21N3.C23H18N2.C6H5Br.CHI3.CH2I.I3.V/c1-2-12-24(13-3-1)31(25-14-8-10-22(20-25)27-16-4-6-18-29-27)26-15-9-11-23(21-26)28-17-5-7-19-30-28;1-3-13-24-22(11-1)20-9-5-7-18(16-20)15-19-8-6-10-21(17-19)23-12-2-4-14-25-23;7-6-4-2-1-3-5-6;2-1(3)4;1-2;1-3-2;/h1-21H;1-14,16-17H,15H2;1-5H;1H;1H2;;/q;;;;2*-1;
InChIKeyKBOVPJRSPHGVHQ-UHFFFAOYSA-N
MW1845.24 g/mol
LogP17.69
Rot. Bonds9

About bromobenzene;iodoform;iodomethane;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline;2-[3-[(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine;vanadium;triiodide

bromobenzene;iodoform;iodomethane;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline;2-[3-[(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine;vanadium;triiodide (PubChem CID 159100057) has the molecular formula C59H47BrI7N5V-2 and a molecular weight of 1845.24 g/mol. Its IUPAC name is bromobenzene;iodoform;iodomethane;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline;2-[3-[(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine;vanadium;triiodide.

Molecular Properties

Compound Namebromobenzene;iodoform;iodomethane;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline;2-[3-[(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine;vanadium;triiodide
PubChem CID159100057
Molecular FormulaC59H47BrI7N5V-2
Molecular Weight1845.24 g/mol
Exact Mass1843.58
IUPAC Namebromobenzene;iodoform;iodomethane;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline;2-[3-[(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine;vanadium;triiodide
SMILESBrc1ccccc1.IC(I)I.I[I-]I.[CH2-]I.[V].c1ccc(-c2cccc(Cc3cccc(-c4ccccn4)c3)c2)nc1.c1ccc(N(c2cccc(-c3ccccn3)c2)c2cccc(-c3ccccn3)c2)cc1
InChIInChI=1S/C28H21N3.C23H18N2.C6H5Br.CHI3.CH2I.I3.V/c1-2-12-24(13-3-1)31(25-14-8-10-22(20-25)27-16-4-6-18-29-27)26-15-9-11-23(21-26)28-17-5-7-19-30-28;1-3-13-24-22(11-1)20-9-5-7-18(16-20)15-19-8-6-10-21(17-19)23-12-2-4-14-25-23;7-6-4-2-1-3-5-6;2-1(3)4;1-2;1-3-2;/h1-21H;1-14,16-17H,15H2;1-5H;1H;1H2;;/q;;;;2*-1;
InChIKeyKBOVPJRSPHGVHQ-UHFFFAOYSA-N
XLogP17.69
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001845.24
LogP ≤ 517.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze bromobenzene;iodoform;iodomethane;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline;2-[3-[(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine;vanadium;triiodide 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

3,3',5,5'-Tetra(pyrid-2-yl)-1,1'-biphenyl
CID 21024809
1,3,5-Tris(6-(3-(pyridin-3-yl)phenyl)pyridin-2-yl)benzene
CID 102128661
5-[3-[3-(3,5-Dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]-2-(fluoromethyl)pyridine
CID 118041844
(6-Methyl-3-pyridinyl)boronic acid;2-[3-[3-[3-(6-methyl-3-pyridinyl)phenyl]-5-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine;1,3,5-tris(3-bromophenyl)benzene
CID 157242619
4-[5-bromo-4-[3-bromo-5-[4-(N-phenylanilino)phenyl]-4-pyridinyl]-3-pyridinyl]-N,N-diphenylaniline
CID 57342783
5-Bromo-2-[6-(6-pyridin-3-yl-3-pyridinyl)-3-pyridinyl]pyridine
CID 101526146
N4,N4,N4',N4'-Tetrakis(4-(pyridin-4-yl)phenyl)-[1,1'-biphenyl]-4,4'-diamine
CID 102114794
N,N-dimethyl-N',N'-bis(3,5-di(pyrid-4-yl)phenyl)-p-phenylenediamine
CID 132276628
4-[(1S,2R)-2-(2,6-diphenyl-4-pyridinyl)-1,2-bis(4-pyridin-4-ylphenyl)ethyl]-2,6-diphenylpyridine
CID 139177377
1-[3,5-Bis[[4-[1-[[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]-4-[1-[3,5-bis[[4-[1-[[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium
CID 46889636
5-[2-[3,5-Bis[2-[6-(3-bromo-4-fluorophenyl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(3-bromo-4-fluorophenyl)pyridine
CID 140838547
2-[3-[3-(3,5-Dipyridin-2-ylphenyl)phenyl]-5-pyridin-2-ylphenyl]pyridine
CID 11981801

Frequently Asked Questions

What is the IUPAC name of bromobenzene;iodoform;iodomethane;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline;2-[3-[(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine;vanadium;triiodide?
The IUPAC name of bromobenzene;iodoform;iodomethane;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline;2-[3-[(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine;vanadium;triiodide (CID 159100057) is bromobenzene;iodoform;iodomethane;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline;2-[3-[(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine;vanadium;triiodide.
What is the SMILES notation for bromobenzene;iodoform;iodomethane;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline;2-[3-[(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine;vanadium;triiodide?
The canonical SMILES for bromobenzene;iodoform;iodomethane;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline;2-[3-[(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine;vanadium;triiodide is Brc1ccccc1.IC(I)I.I[I-]I.[CH2-]I.[V].c1ccc(-c2cccc(Cc3cccc(-c4ccccn4)c3)c2)nc1.c1ccc(N(c2cccc(-c3ccccn3)c2)c2cccc(-c3ccccn3)c2)cc1.
What is the InChIKey of bromobenzene;iodoform;iodomethane;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline;2-[3-[(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine;vanadium;triiodide?
The InChIKey is KBOVPJRSPHGVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3.C23H18N2.C6H5Br.CHI3.CH2I.I3.V/c1-2-12-24(13-3-1)31(25-14-8-10-22(20-25)27-16-4-6-18-29-27)26-15-9-11-23(21-26)28-17-5-7-19-30-28;1-3-13-24-22(11-1)20-9-5-7-18(16-20)15-19-8-6-10-21(17-19)23-12-2-4-14-25-23;7-6-4-2-1-3-5-6;2-1(3)4;1-2;1-3-2;/h1-21H;1-14,16-17H,15H2;1-5H;1H;1H2;;/q;;;;2*-1;.
What are the key properties of bromobenzene;iodoform;iodomethane;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline;2-[3-[(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine;vanadium;triiodide?
bromobenzene;iodoform;iodomethane;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline;2-[3-[(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine;vanadium;triiodide has a molecular weight of 1845.24 g/mol, XLogP of 17.69, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bromobenzene;iodoform;iodomethane;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline;2-[3-[(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine;vanadium;triiodide is sourced from PubChem (CID 159100057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).