N-(4-bromophenyl)-N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazin-2-amine;N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-N-(4-phenylphenyl)-1,3,5-triazin-2-amine;phenylboronic acid

C84H60BBrN14O2 — CID 159198552

IUPACN-(4-bromophenyl)-N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazin-2-amine;N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-N-(4-phenylphenyl)-1,3,5-triazin-2-amine;phenylboronic acid
SMILESBrc1ccc(N(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.OB(O)c1ccccc1.c1ccc(-c2ccc(N(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C42H29N7.C36H24BrN7.C6H7BO2/c1-6-16-30(17-7-1)31-26-28-36(29-27-31)49(41-45-37(32-18-8-2-9-19-32)43-38(46-41)33-20-10-3-11-21-33)42-47-39(34-22-12-4-13-23-34)44-40(48-42)35-24-14-5-15-25-35;37-29-21-23-30(24-22-29)44(35-40-31(25-13-5-1-6-14-25)38-32(41-35)26-15-7-2-8-16-26)36-42-33(27-17-9-3-10-18-27)39-34(43-36)28-19-11-4-12-20-28;8-7(9)6-4-2-1-3-5-6/h1-29H;1-24H;1-5,8-9H
InChIKeyKOZDTDZPDBOYJT-UHFFFAOYSA-N
MW1388.22 g/mol
LogP18.18
Rot. Bonds16

About N-(4-bromophenyl)-N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazin-2-amine;N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-N-(4-phenylphenyl)-1,3,5-triazin-2-amine;phenylboronic acid

N-(4-bromophenyl)-N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazin-2-amine;N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-N-(4-phenylphenyl)-1,3,5-triazin-2-amine;phenylboronic acid (PubChem CID 159198552) has the molecular formula C84H60BBrN14O2 and a molecular weight of 1388.22 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazin-2-amine;N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-N-(4-phenylphenyl)-1,3,5-triazin-2-amine;phenylboronic acid.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazin-2-amine;N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-N-(4-phenylphenyl)-1,3,5-triazin-2-amine;phenylboronic acid
PubChem CID159198552
Molecular FormulaC84H60BBrN14O2
Molecular Weight1388.22 g/mol
Exact Mass1386.43
IUPAC NameN-(4-bromophenyl)-N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazin-2-amine;N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-N-(4-phenylphenyl)-1,3,5-triazin-2-amine;phenylboronic acid
SMILESBrc1ccc(N(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.OB(O)c1ccccc1.c1ccc(-c2ccc(N(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C42H29N7.C36H24BrN7.C6H7BO2/c1-6-16-30(17-7-1)31-26-28-36(29-27-31)49(41-45-37(32-18-8-2-9-19-32)43-38(46-41)33-20-10-3-11-21-33)42-47-39(34-22-12-4-13-23-34)44-40(48-42)35-24-14-5-15-25-35;37-29-21-23-30(24-22-29)44(35-40-31(25-13-5-1-6-14-25)38-32(41-35)26-15-7-2-8-16-26)36-42-33(27-17-9-3-10-18-27)39-34(43-36)28-19-11-4-12-20-28;8-7(9)6-4-2-1-3-5-6/h1-29H;1-24H;1-5,8-9H
InChIKeyKOZDTDZPDBOYJT-UHFFFAOYSA-N
XLogP18.18
TPSA201.62 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001388.22
LogP ≤ 518.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze N-(4-bromophenyl)-N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazin-2-amine;N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-N-(4-phenylphenyl)-1,3,5-triazin-2-amine;phenylboronic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazin-2-amine;N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-N-(4-phenylphenyl)-1,3,5-triazin-2-amine;phenylboronic acid?
The IUPAC name of N-(4-bromophenyl)-N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazin-2-amine;N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-N-(4-phenylphenyl)-1,3,5-triazin-2-amine;phenylboronic acid (CID 159198552) is N-(4-bromophenyl)-N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazin-2-amine;N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-N-(4-phenylphenyl)-1,3,5-triazin-2-amine;phenylboronic acid.
What is the SMILES notation for N-(4-bromophenyl)-N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazin-2-amine;N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-N-(4-phenylphenyl)-1,3,5-triazin-2-amine;phenylboronic acid?
The canonical SMILES for N-(4-bromophenyl)-N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazin-2-amine;N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-N-(4-phenylphenyl)-1,3,5-triazin-2-amine;phenylboronic acid is Brc1ccc(N(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.OB(O)c1ccccc1.c1ccc(-c2ccc(N(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazin-2-amine;N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-N-(4-phenylphenyl)-1,3,5-triazin-2-amine;phenylboronic acid?
The InChIKey is KOZDTDZPDBOYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N7.C36H24BrN7.C6H7BO2/c1-6-16-30(17-7-1)31-26-28-36(29-27-31)49(41-45-37(32-18-8-2-9-19-32)43-38(46-41)33-20-10-3-11-21-33)42-47-39(34-22-12-4-13-23-34)44-40(48-42)35-24-14-5-15-25-35;37-29-21-23-30(24-22-29)44(35-40-31(25-13-5-1-6-14-25)38-32(41-35)26-15-7-2-8-16-26)36-42-33(27-17-9-3-10-18-27)39-34(43-36)28-19-11-4-12-20-28;8-7(9)6-4-2-1-3-5-6/h1-29H;1-24H;1-5,8-9H.
What are the key properties of N-(4-bromophenyl)-N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazin-2-amine;N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-N-(4-phenylphenyl)-1,3,5-triazin-2-amine;phenylboronic acid?
N-(4-bromophenyl)-N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazin-2-amine;N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-N-(4-phenylphenyl)-1,3,5-triazin-2-amine;phenylboronic acid has a molecular weight of 1388.22 g/mol, XLogP of 18.18, 16 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazin-2-amine;N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-N-(4-phenylphenyl)-1,3,5-triazin-2-amine;phenylboronic acid is sourced from PubChem (CID 159198552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).