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

C91H82Br2ClN9Zn — CID 157155799

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

2,4-bis(4-tert-butylphenyl)-6-(3,5-dibromophenyl)-1,3,5-triazine;2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;chlorozinc(1+);3-phenylpyridine (PubChem CID 157155799) has the molecular formula C91H82Br2ClN9Zn and a molecular weight of 1562.37 g/mol. Its IUPAC name is 2,4-bis(4-tert-butylphenyl)-6-(3,5-dibromophenyl)-1,3,5-triazine;2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;chlorozinc(1+);3-phenylpyridine.

Molecular Properties

• Compound Name: 2,4-bis(4-tert-butylphenyl)-6-(3,5-dibromophenyl)-1,3,5-triazine;2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;chlorozinc(1+);3-phenylpyridine
• PubChem CID: 157155799
• Molecular Formula: C91H82Br2ClN9Zn
• Molecular Weight: 1562.37 g/mol
• Exact Mass: 1557.40
• IUPAC Name: 2,4-bis(4-tert-butylphenyl)-6-(3,5-dibromophenyl)-1,3,5-triazine;2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;chlorozinc(1+);3-phenylpyridine
• SMILES: CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3cc(-c4ccc(-c5ccccn5)cc4)cc(-c4ccc(-c5ccccn5)cc4)c3)n2)cc1.CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3cc(Br)cc(Br)c3)n2)cc1.Cl[Zn+].[c-]1ccc(-c2cccnc2)cc1
• InChI: InChI=1S/C51H45N5.C29H29Br2N3.C11H8N.ClH.Zn/c1-50(2,3)43-25-21-38(22-26-43)47-54-48(39-23-27-44(28-24-39)51(4,5)6)56-49(55-47)42-32-40(34-13-17-36(18-14-34)45-11-7-9-29-52-45)31-41(33-42)35-15-19-37(20-16-35)46-12-8-10-30-53-46;1-28(2,3)21-11-7-18(8-12-21)25-32-26(19-9-13-22(14-10-19)29(4,5)6)34-27(33-25)20-15-23(30)17-24(31)16-20;1-2-5-10(6-3-1)11-7-4-8-12-9-11;;/h7-33H,1-6H3;7-17H,1-6H3;2-9H;1H;/q;;-1;;+2/p-1
• InChIKey: MHHPWPNROHVJNS-UHFFFAOYSA-M
• XLogP: 25.15
• TPSA: 116.01 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1562.37
LogP ≤ 5	25.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-tert-butylphenyl)-6-(3,5-dibromophenyl)-1,3,5-triazine;2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;chlorozinc(1+);3-phenylpyridine?

The IUPAC name of 2,4-bis(4-tert-butylphenyl)-6-(3,5-dibromophenyl)-1,3,5-triazine;2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;chlorozinc(1+);3-phenylpyridine (CID 157155799) is 2,4-bis(4-tert-butylphenyl)-6-(3,5-dibromophenyl)-1,3,5-triazine;2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;chlorozinc(1+);3-phenylpyridine.

What is the SMILES notation for 2,4-bis(4-tert-butylphenyl)-6-(3,5-dibromophenyl)-1,3,5-triazine;2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;chlorozinc(1+);3-phenylpyridine?

The canonical SMILES for 2,4-bis(4-tert-butylphenyl)-6-(3,5-dibromophenyl)-1,3,5-triazine;2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;chlorozinc(1+);3-phenylpyridine is CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3cc(-c4ccc(-c5ccccn5)cc4)cc(-c4ccc(-c5ccccn5)cc4)c3)n2)cc1.CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3cc(Br)cc(Br)c3)n2)cc1.Cl[Zn+].[c-]1ccc(-c2cccnc2)cc1.

What is the InChIKey of 2,4-bis(4-tert-butylphenyl)-6-(3,5-dibromophenyl)-1,3,5-triazine;2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;chlorozinc(1+);3-phenylpyridine?

The InChIKey is MHHPWPNROHVJNS-UHFFFAOYSA-M. The full InChI is InChI=1S/C51H45N5.C29H29Br2N3.C11H8N.ClH.Zn/c1-50(2,3)43-25-21-38(22-26-43)47-54-48(39-23-27-44(28-24-39)51(4,5)6)56-49(55-47)42-32-40(34-13-17-36(18-14-34)45-11-7-9-29-52-45)31-41(33-42)35-15-19-37(20-16-35)46-12-8-10-30-53-46;1-28(2,3)21-11-7-18(8-12-21)25-32-26(19-9-13-22(14-10-19)29(4,5)6)34-27(33-25)20-15-23(30)17-24(31)16-20;1-2-5-10(6-3-1)11-7-4-8-12-9-11;;/h7-33H,1-6H3;7-17H,1-6H3;2-9H;1H;/q;;-1;;+2/p-1.

What are the key properties of 2,4-bis(4-tert-butylphenyl)-6-(3,5-dibromophenyl)-1,3,5-triazine;2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;chlorozinc(1+);3-phenylpyridine?

2,4-bis(4-tert-butylphenyl)-6-(3,5-dibromophenyl)-1,3,5-triazine;2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;chlorozinc(1+);3-phenylpyridine has a molecular weight of 1562.37 g/mol, XLogP of 25.15, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-bis(4-tert-butylphenyl)-6-(3,5-dibromophenyl)-1,3,5-triazine;2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;chlorozinc(1+);3-phenylpyridine is sourced from PubChem (CID 157155799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).