2-(3-bromo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-chloro-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;chlorozinc(1+);2-phenylpyridine

C64H42BrCl3N8Zn — CID 157293207

IUPAC2-(3-bromo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-chloro-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;chlorozinc(1+);2-phenylpyridine
SMILESCl[Zn+].Clc1cc(-c2ccc(-c3ccccn3)cc2)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.Clc1cc(Br)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.[c-]1ccc(-c2ccccn2)cc1
InChIInChI=1S/C32H21ClN4.C21H13BrClN3.C11H8N.ClH.Zn/c33-28-20-26(22-14-16-23(17-15-22)29-13-7-8-18-34-29)19-27(21-28)32-36-30(24-9-3-1-4-10-24)35-31(37-32)25-11-5-2-6-12-25;22-17-11-16(12-18(23)13-17)21-25-19(14-7-3-1-4-8-14)24-20(26-21)15-9-5-2-6-10-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h1-21H;1-13H;2-9H;1H;/q;;-1;;+2/p-1
InChIKeyPWKWIWIRLLUHRD-UHFFFAOYSA-M
MW1174.75 g/mol
LogP17.78
Rot. Bonds9

About 2-(3-bromo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-chloro-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;chlorozinc(1+);2-phenylpyridine

2-(3-bromo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-chloro-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;chlorozinc(1+);2-phenylpyridine (PubChem CID 157293207) has the molecular formula C64H42BrCl3N8Zn and a molecular weight of 1174.75 g/mol. Its IUPAC name is 2-(3-bromo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-chloro-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;chlorozinc(1+);2-phenylpyridine.

Molecular Properties

Compound Name2-(3-bromo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-chloro-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;chlorozinc(1+);2-phenylpyridine
PubChem CID157293207
Molecular FormulaC64H42BrCl3N8Zn
Molecular Weight1174.75 g/mol
Exact Mass1170.11
IUPAC Name2-(3-bromo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-chloro-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;chlorozinc(1+);2-phenylpyridine
SMILESCl[Zn+].Clc1cc(-c2ccc(-c3ccccn3)cc2)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.Clc1cc(Br)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.[c-]1ccc(-c2ccccn2)cc1
InChIInChI=1S/C32H21ClN4.C21H13BrClN3.C11H8N.ClH.Zn/c33-28-20-26(22-14-16-23(17-15-22)29-13-7-8-18-34-29)19-27(21-28)32-36-30(24-9-3-1-4-10-24)35-31(37-32)25-11-5-2-6-12-25;22-17-11-16(12-18(23)13-17)21-25-19(14-7-3-1-4-8-14)24-20(26-21)15-9-5-2-6-10-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h1-21H;1-13H;2-9H;1H;/q;;-1;;+2/p-1
InChIKeyPWKWIWIRLLUHRD-UHFFFAOYSA-M
XLogP17.78
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001174.75
LogP ≤ 517.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(3-bromo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-chloro-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;chlorozinc(1+);2-phenylpyridine with MolForge

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Related Compounds

2-[5-Chloro-4'-(2-pyridyl)-1,1'-biphenyl-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 44138767
2-[3-Chloro-5-(4-pyridin-2-ylphenyl)phenyl]-4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazine
CID 90243962
2-[3-Bromo-5-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 90436006
2-[3-Chloro-5-(2,3-dimethyl-4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 118877692
2-(3-Chloro-5-pyridin-3-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 124137221
2-[3-Chloro-5-(6-phenyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 124137247
4-[3-Bromo-5-(4-pyridin-3-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 132030173
2-[3-Bromo-5-(4-pyridin-3-ylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 132030238
2-[6-[4-[2-[3-[2-[4-[5-[4,6-Bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]-4-tert-butylphenyl]-5-(2-chlorophenyl)cyclohexyl]-5-tert-butylphenyl]phenyl]-3-pyridinyl]-4-[3-[2-[2-[4-[5-tert-butyl-2-[3-[4-tert-butyl-2-[4-(4-tert-butyl-2-pyridinyl)-2-phenylphenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]-3-phenylphenyl]-4-pyridinyl]-2-methylpropyl]-5-phenylphenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 134179226
2-[6-[4-(2-Bromophenyl)phenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 134226256
2-[6-[4-[2-[3-[2-[4-[5-[4,6-Bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-chlorophenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 134227268
2-[6-[4-[2-[3-Chloro-5-[2-[4-[5-[4-(5-phenylcyclohexa-1,5-dien-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4-(3-phenylcyclohexa-1,3,4,5-tetraen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 138652241

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-chloro-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;chlorozinc(1+);2-phenylpyridine?
The IUPAC name of 2-(3-bromo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-chloro-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;chlorozinc(1+);2-phenylpyridine (CID 157293207) is 2-(3-bromo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-chloro-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;chlorozinc(1+);2-phenylpyridine.
What is the SMILES notation for 2-(3-bromo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-chloro-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;chlorozinc(1+);2-phenylpyridine?
The canonical SMILES for 2-(3-bromo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-chloro-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;chlorozinc(1+);2-phenylpyridine is Cl[Zn+].Clc1cc(-c2ccc(-c3ccccn3)cc2)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.Clc1cc(Br)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.[c-]1ccc(-c2ccccn2)cc1.
What is the InChIKey of 2-(3-bromo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-chloro-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;chlorozinc(1+);2-phenylpyridine?
The InChIKey is PWKWIWIRLLUHRD-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H21ClN4.C21H13BrClN3.C11H8N.ClH.Zn/c33-28-20-26(22-14-16-23(17-15-22)29-13-7-8-18-34-29)19-27(21-28)32-36-30(24-9-3-1-4-10-24)35-31(37-32)25-11-5-2-6-12-25;22-17-11-16(12-18(23)13-17)21-25-19(14-7-3-1-4-8-14)24-20(26-21)15-9-5-2-6-10-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h1-21H;1-13H;2-9H;1H;/q;;-1;;+2/p-1.
What are the key properties of 2-(3-bromo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-chloro-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;chlorozinc(1+);2-phenylpyridine?
2-(3-bromo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-chloro-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;chlorozinc(1+);2-phenylpyridine has a molecular weight of 1174.75 g/mol, XLogP of 17.78, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-chloro-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;chlorozinc(1+);2-phenylpyridine is sourced from PubChem (CID 157293207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).