aniline;2-(3-bromophenyl)pyridine;iodoethane;methane;2-phenylpyridine;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline;1,1,1-triiodoethane;vanadium

C61H56BrI4N6V- — CID 159426213

IUPACaniline;2-(3-bromophenyl)pyridine;iodoethane;methane;2-phenylpyridine;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline;1,1,1-triiodoethane;vanadium
SMILESBrc1cccc(-c2ccccn2)c1.C.CC(I)(I)I.C[CH-]I.Nc1ccccc1.[V].c1ccc(-c2ccccn2)cc1.c1ccc(N(c2cccc(-c3ccccn3)c2)c2cccc(-c3ccccn3)c2)cc1
InChIInChI=1S/C28H21N3.C11H8BrN.C11H9N.C6H7N.C2H3I3.C2H4I.CH4.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;12-10-5-3-4-9(8-10)11-6-1-2-7-13-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;7-6-4-2-1-3-5-6;1-2(3,4)5;1-2-3;;/h1-21H;1-8H;1-9H;1-5H,7H2;1H3;2H,1H3;1H4;/q;;;;;-1;;
InChIKeyOXSYVFDVRZXROP-UHFFFAOYSA-N
MW1511.62 g/mol
LogP20.01
Rot. Bonds7

About aniline;2-(3-bromophenyl)pyridine;iodoethane;methane;2-phenylpyridine;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline;1,1,1-triiodoethane;vanadium

aniline;2-(3-bromophenyl)pyridine;iodoethane;methane;2-phenylpyridine;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline;1,1,1-triiodoethane;vanadium (PubChem CID 159426213) has the molecular formula C61H56BrI4N6V- and a molecular weight of 1511.62 g/mol. Its IUPAC name is aniline;2-(3-bromophenyl)pyridine;iodoethane;methane;2-phenylpyridine;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline;1,1,1-triiodoethane;vanadium.

Molecular Properties

Compound Nameaniline;2-(3-bromophenyl)pyridine;iodoethane;methane;2-phenylpyridine;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline;1,1,1-triiodoethane;vanadium
PubChem CID159426213
Molecular FormulaC61H56BrI4N6V-
Molecular Weight1511.62 g/mol
Exact Mass1509.94
IUPAC Nameaniline;2-(3-bromophenyl)pyridine;iodoethane;methane;2-phenylpyridine;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline;1,1,1-triiodoethane;vanadium
SMILESBrc1cccc(-c2ccccn2)c1.C.CC(I)(I)I.C[CH-]I.Nc1ccccc1.[V].c1ccc(-c2ccccn2)cc1.c1ccc(N(c2cccc(-c3ccccn3)c2)c2cccc(-c3ccccn3)c2)cc1
InChIInChI=1S/C28H21N3.C11H8BrN.C11H9N.C6H7N.C2H3I3.C2H4I.CH4.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;12-10-5-3-4-9(8-10)11-6-1-2-7-13-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;7-6-4-2-1-3-5-6;1-2(3,4)5;1-2-3;;/h1-21H;1-8H;1-9H;1-5H,7H2;1H3;2H,1H3;1H4;/q;;;;;-1;;
InChIKeyOXSYVFDVRZXROP-UHFFFAOYSA-N
XLogP20.01
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001511.62
LogP ≤ 520.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze aniline;2-(3-bromophenyl)pyridine;iodoethane;methane;2-phenylpyridine;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline;1,1,1-triiodoethane;vanadium with MolForge

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Related Compounds

Tris(2-(3-bromophenyl)pyridine);iridium(3+)
CID 17836206
Tris(2-(3-bromophenyl)pyridine);gold(3+);2-phenylpyridine
CID 17836220
4-(3-Bromophenyl)-2-[4-(3-bromophenyl)-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-ylpyridine
CID 59629361
4-[3-Bromo-5-[2-(1,2-dihydropyridin-6-yl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 71178345
CID 88987904
CID 88987904
4-[3-Bromo-4-[6-[6-[4-(2-bromophenyl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-2,6-bis[5-(2-bromophenyl)-2-pyridinyl]pyridine
CID 134313306
4-[5-[2-[3,5-Bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-pyridinyl]-2-[4-(2-bromophenyl)phenyl]pyridine
CID 134313366
5-[2-[3-Bromo-5-[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-methyl-4-phenylpyridine
CID 139352190
3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-(6-pyridin-3-yl-3-pyridinyl)anilino]phenyl]phenyl]-N-[4-(6-pyridin-3-yl-3-pyridinyl)phenyl]aniline
CID 140069684
5-[2-[3-Bromo-5-[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine;2-[4-[2-[3-bromo-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine;ethane
CID 145132328
Benzene;5-[2-[3-bromo-5-[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-methyl-4-phenylpyridine;ethane
CID 145132481
4-[3-[3-(3-Bromophenyl)phenyl]phenyl]-2,6-dipyridin-4-ylpyridine
CID 153382205

Frequently Asked Questions

What is the IUPAC name of aniline;2-(3-bromophenyl)pyridine;iodoethane;methane;2-phenylpyridine;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline;1,1,1-triiodoethane;vanadium?
The IUPAC name of aniline;2-(3-bromophenyl)pyridine;iodoethane;methane;2-phenylpyridine;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline;1,1,1-triiodoethane;vanadium (CID 159426213) is aniline;2-(3-bromophenyl)pyridine;iodoethane;methane;2-phenylpyridine;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline;1,1,1-triiodoethane;vanadium.
What is the SMILES notation for aniline;2-(3-bromophenyl)pyridine;iodoethane;methane;2-phenylpyridine;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline;1,1,1-triiodoethane;vanadium?
The canonical SMILES for aniline;2-(3-bromophenyl)pyridine;iodoethane;methane;2-phenylpyridine;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline;1,1,1-triiodoethane;vanadium is Brc1cccc(-c2ccccn2)c1.C.CC(I)(I)I.C[CH-]I.Nc1ccccc1.[V].c1ccc(-c2ccccn2)cc1.c1ccc(N(c2cccc(-c3ccccn3)c2)c2cccc(-c3ccccn3)c2)cc1.
What is the InChIKey of aniline;2-(3-bromophenyl)pyridine;iodoethane;methane;2-phenylpyridine;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline;1,1,1-triiodoethane;vanadium?
The InChIKey is OXSYVFDVRZXROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3.C11H8BrN.C11H9N.C6H7N.C2H3I3.C2H4I.CH4.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;12-10-5-3-4-9(8-10)11-6-1-2-7-13-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;7-6-4-2-1-3-5-6;1-2(3,4)5;1-2-3;;/h1-21H;1-8H;1-9H;1-5H,7H2;1H3;2H,1H3;1H4;/q;;;;;-1;;.
What are the key properties of aniline;2-(3-bromophenyl)pyridine;iodoethane;methane;2-phenylpyridine;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline;1,1,1-triiodoethane;vanadium?
aniline;2-(3-bromophenyl)pyridine;iodoethane;methane;2-phenylpyridine;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline;1,1,1-triiodoethane;vanadium has a molecular weight of 1511.62 g/mol, XLogP of 20.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;2-(3-bromophenyl)pyridine;iodoethane;methane;2-phenylpyridine;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline;1,1,1-triiodoethane;vanadium is sourced from PubChem (CID 159426213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).