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-[4-(N-phenylanilino)phenyl]phenyl]-1,3,5-triazin-2-amine;[4-(N-phenylanilino)phenyl]boronic acid

C108H78BBrN16O2 — CID 161299360

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-[4-(N-phenylanilino)phenyl]phenyl]-1,3,5-triazin-2-amine;[4-(N-phenylanilino)phenyl]boronic acid
SMILESBrc1ccc(N(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.OB(O)c1ccc(N(c2ccccc2)c2ccccc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(N(c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)c3nc(-c4ccccc4)nc(-c4ccccc4)n3)n2)cc1
InChIInChI=1S/C54H38N8.C36H24BrN7.C18H16BNO2/c1-7-19-41(20-8-1)49-55-50(42-21-9-2-10-22-42)58-53(57-49)62(54-59-51(43-23-11-3-12-24-43)56-52(60-54)44-25-13-4-14-26-44)48-37-33-40(34-38-48)39-31-35-47(36-32-39)61(45-27-15-5-16-28-45)46-29-17-6-18-30-46;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;21-19(22)15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-38H;1-24H;1-14,21-22H
InChIKeyVHKAKIGMDNBTJZ-UHFFFAOYSA-N
MW1722.64 g/mol
LogP25.12
Rot. Bonds22

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-[4-(N-phenylanilino)phenyl]phenyl]-1,3,5-triazin-2-amine;[4-(N-phenylanilino)phenyl]boronic 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-[4-(N-phenylanilino)phenyl]phenyl]-1,3,5-triazin-2-amine;[4-(N-phenylanilino)phenyl]boronic acid (PubChem CID 161299360) has the molecular formula C108H78BBrN16O2 and a molecular weight of 1722.64 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-[4-(N-phenylanilino)phenyl]phenyl]-1,3,5-triazin-2-amine;[4-(N-phenylanilino)phenyl]boronic 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-[4-(N-phenylanilino)phenyl]phenyl]-1,3,5-triazin-2-amine;[4-(N-phenylanilino)phenyl]boronic acid
PubChem CID161299360
Molecular FormulaC108H78BBrN16O2
Molecular Weight1722.64 g/mol
Exact Mass1720.58
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-[4-(N-phenylanilino)phenyl]phenyl]-1,3,5-triazin-2-amine;[4-(N-phenylanilino)phenyl]boronic acid
SMILESBrc1ccc(N(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.OB(O)c1ccc(N(c2ccccc2)c2ccccc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(N(c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)c3nc(-c4ccccc4)nc(-c4ccccc4)n3)n2)cc1
InChIInChI=1S/C54H38N8.C36H24BrN7.C18H16BNO2/c1-7-19-41(20-8-1)49-55-50(42-21-9-2-10-22-42)58-53(57-49)62(54-59-51(43-23-11-3-12-24-43)56-52(60-54)44-25-13-4-14-26-44)48-37-33-40(34-38-48)39-31-35-47(36-32-39)61(45-27-15-5-16-28-45)46-29-17-6-18-30-46;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;21-19(22)15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-38H;1-24H;1-14,21-22H
InChIKeyVHKAKIGMDNBTJZ-UHFFFAOYSA-N
XLogP25.12
TPSA208.10 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds22
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001722.64
LogP ≤ 525.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

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-[4-(N-phenylanilino)phenyl]phenyl]-1,3,5-triazin-2-amine;[4-(N-phenylanilino)phenyl]boronic 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-[4-(N-phenylanilino)phenyl]phenyl]-1,3,5-triazin-2-amine;[4-(N-phenylanilino)phenyl]boronic 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-[4-(N-phenylanilino)phenyl]phenyl]-1,3,5-triazin-2-amine;[4-(N-phenylanilino)phenyl]boronic acid (CID 161299360) 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-[4-(N-phenylanilino)phenyl]phenyl]-1,3,5-triazin-2-amine;[4-(N-phenylanilino)phenyl]boronic 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-[4-(N-phenylanilino)phenyl]phenyl]-1,3,5-triazin-2-amine;[4-(N-phenylanilino)phenyl]boronic 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-[4-(N-phenylanilino)phenyl]phenyl]-1,3,5-triazin-2-amine;[4-(N-phenylanilino)phenyl]boronic acid is Brc1ccc(N(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.OB(O)c1ccc(N(c2ccccc2)c2ccccc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(N(c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)c3nc(-c4ccccc4)nc(-c4ccccc4)n3)n2)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-[4-(N-phenylanilino)phenyl]phenyl]-1,3,5-triazin-2-amine;[4-(N-phenylanilino)phenyl]boronic acid?
The InChIKey is VHKAKIGMDNBTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N8.C36H24BrN7.C18H16BNO2/c1-7-19-41(20-8-1)49-55-50(42-21-9-2-10-22-42)58-53(57-49)62(54-59-51(43-23-11-3-12-24-43)56-52(60-54)44-25-13-4-14-26-44)48-37-33-40(34-38-48)39-31-35-47(36-32-39)61(45-27-15-5-16-28-45)46-29-17-6-18-30-46;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;21-19(22)15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-38H;1-24H;1-14,21-22H.
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-[4-(N-phenylanilino)phenyl]phenyl]-1,3,5-triazin-2-amine;[4-(N-phenylanilino)phenyl]boronic 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-[4-(N-phenylanilino)phenyl]phenyl]-1,3,5-triazin-2-amine;[4-(N-phenylanilino)phenyl]boronic acid has a molecular weight of 1722.64 g/mol, XLogP of 25.12, 22 rotatable bonds, 2 hydrogen bond donors, and 18 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-[4-(N-phenylanilino)phenyl]phenyl]-1,3,5-triazin-2-amine;[4-(N-phenylanilino)phenyl]boronic acid is sourced from PubChem (CID 161299360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).