2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;chlorozinc(1+);2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-phenylpyridine

C99H66Br2ClN9Zn — CID 157398686

IUPAC2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;chlorozinc(1+);2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-phenylpyridine
SMILESBrc1cc(Br)cc(-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4ccccc4)c3)n2)c1.Cl[Zn+].[c-]1ccc(-c2ccccn2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cc(-c5ccc(-c6ccccn6)cc5)cc(-c5ccc(-c6ccccn6)cc5)c4)n3)c2)cc1
InChIInChI=1S/C55H37N5.C33H21Br2N3.C11H8N.ClH.Zn/c1-3-13-38(14-4-1)44-17-11-19-46(33-44)53-58-54(47-20-12-18-45(34-47)39-15-5-2-6-16-39)60-55(59-53)50-36-48(40-23-27-42(28-24-40)51-21-7-9-31-56-51)35-49(37-50)41-25-29-43(30-26-41)52-22-8-10-32-57-52;34-29-19-28(20-30(35)21-29)33-37-31(26-15-7-13-24(17-26)22-9-3-1-4-10-22)36-32(38-33)27-16-8-14-25(18-27)23-11-5-2-6-12-23;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h1-37H;1-21H;2-9H;1H;/q;;-1;;+2/p-1
InChIKeyKAQWVHRUUQOYDR-UHFFFAOYSA-M
MW1642.33 g/mol
LogP26.63
Rot. Bonds15

About 2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;chlorozinc(1+);2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-phenylpyridine

2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;chlorozinc(1+);2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-phenylpyridine (PubChem CID 157398686) has the molecular formula C99H66Br2ClN9Zn and a molecular weight of 1642.33 g/mol. Its IUPAC name is 2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;chlorozinc(1+);2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-phenylpyridine.

Molecular Properties

Compound Name2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;chlorozinc(1+);2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-phenylpyridine
PubChem CID157398686
Molecular FormulaC99H66Br2ClN9Zn
Molecular Weight1642.33 g/mol
Exact Mass1637.28
IUPAC Name2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;chlorozinc(1+);2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-phenylpyridine
SMILESBrc1cc(Br)cc(-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4ccccc4)c3)n2)c1.Cl[Zn+].[c-]1ccc(-c2ccccn2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cc(-c5ccc(-c6ccccn6)cc5)cc(-c5ccc(-c6ccccn6)cc5)c4)n3)c2)cc1
InChIInChI=1S/C55H37N5.C33H21Br2N3.C11H8N.ClH.Zn/c1-3-13-38(14-4-1)44-17-11-19-46(33-44)53-58-54(47-20-12-18-45(34-47)39-15-5-2-6-16-39)60-55(59-53)50-36-48(40-23-27-42(28-24-40)51-21-7-9-31-56-51)35-49(37-50)41-25-29-43(30-26-41)52-22-8-10-32-57-52;34-29-19-28(20-30(35)21-29)33-37-31(26-15-7-13-24(17-26)22-9-3-1-4-10-22)36-32(38-33)27-16-8-14-25(18-27)23-11-5-2-6-12-23;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h1-37H;1-21H;2-9H;1H;/q;;-1;;+2/p-1
InChIKeyKAQWVHRUUQOYDR-UHFFFAOYSA-M
XLogP26.63
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001642.33
LogP ≤ 526.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;chlorozinc(1+);2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-phenylpyridine with MolForge

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Related Compounds

4,6-Bis(3,5-di(pyridin-4-yl)phenyl)-2-phenylpyrimidine
CID 89441393
2-Phenyl-4,6-bis(3,5-dipyridylphenyl)pyrimidine
CID 101791711
2,4-Bis(3,5-di-4-pyridinylphenyl)-6-phenyl-1,3,5-triazine
CID 102220863
4,6-Bis(3,5-di(pyridin-3-yl)phenyl)-2-(pyridin-3-yl)pyrimidine
CID 102345540
2,4,6-Tris(3'-(pyridin-3-yl)-[1,1'-biphenyl]-3-yl)-1,3,5-triazine
CID 117829609
2,4,6-Tris(3'-(pyridin-2yl)biphenyl-3-yl)-1,3,5-triazine
CID 129849643
2-[6-[4-[2-[3,5-Bis[2-[4-[5-[4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]cyclohexa-1,3-dien-1-yl]-3-pyridinyl]-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine
CID 122487893
2-[6-[4-[2-[3,5-Bis[2-[4-[5-[4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazin-2-yl]pyridin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridin-3-yl]-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine
CID 134191445
2-[6-[4-[2-[3,5-Bis[2-[4-[5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyridin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridin-3-yl]-4-methyl-6-(trifluoromethyl)pyrimidine
CID 134191452
2-[6-[4-[2-[3,5-Bis[2-[4-[5-(4,6-difluoropyrimidin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-difluoropyrimidine
CID 134191453
2,4,6-Tris[4-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine
CID 147737004
2-[4-[2-[4-[4,6-Bis(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155431848

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;chlorozinc(1+);2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-phenylpyridine?
The IUPAC name of 2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;chlorozinc(1+);2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-phenylpyridine (CID 157398686) is 2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;chlorozinc(1+);2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-phenylpyridine.
What is the SMILES notation for 2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;chlorozinc(1+);2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-phenylpyridine?
The canonical SMILES for 2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;chlorozinc(1+);2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-phenylpyridine is Brc1cc(Br)cc(-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4ccccc4)c3)n2)c1.Cl[Zn+].[c-]1ccc(-c2ccccn2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cc(-c5ccc(-c6ccccn6)cc5)cc(-c5ccc(-c6ccccn6)cc5)c4)n3)c2)cc1.
What is the InChIKey of 2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;chlorozinc(1+);2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-phenylpyridine?
The InChIKey is KAQWVHRUUQOYDR-UHFFFAOYSA-M. The full InChI is InChI=1S/C55H37N5.C33H21Br2N3.C11H8N.ClH.Zn/c1-3-13-38(14-4-1)44-17-11-19-46(33-44)53-58-54(47-20-12-18-45(34-47)39-15-5-2-6-16-39)60-55(59-53)50-36-48(40-23-27-42(28-24-40)51-21-7-9-31-56-51)35-49(37-50)41-25-29-43(30-26-41)52-22-8-10-32-57-52;34-29-19-28(20-30(35)21-29)33-37-31(26-15-7-13-24(17-26)22-9-3-1-4-10-22)36-32(38-33)27-16-8-14-25(18-27)23-11-5-2-6-12-23;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h1-37H;1-21H;2-9H;1H;/q;;-1;;+2/p-1.
What are the key properties of 2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;chlorozinc(1+);2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-phenylpyridine?
2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;chlorozinc(1+);2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-phenylpyridine has a molecular weight of 1642.33 g/mol, XLogP of 26.63, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;chlorozinc(1+);2-(3,5-dibromophenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-phenylpyridine is sourced from PubChem (CID 157398686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).