2-[3-[4-(3-bromophenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;6-[3-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[j]phenanthridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine

C118H84BBrN8O2 — CID 158719370

IUPAC2-[3-[4-(3-bromophenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;6-[3-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[j]phenanthridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine
SMILESBrc1cccc(-c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3)cc2)c1.CC1(C)OB(c2nc3ccccc3c3cc4ccccc4cc23)OC1(C)C.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc(-c6cccc(-c7nc8ccccc8c8cc9ccccc9cc78)c6)cc5)c4)n3)cc2)cc1
InChIInChI=1S/C56H36N4.C39H26BrN3.C23H22BNO2/c1-3-13-37(14-4-1)38-29-31-42(32-30-38)55-58-54(41-15-5-2-6-16-41)59-56(60-55)48-22-12-20-44(34-48)40-27-25-39(26-28-40)43-19-11-21-47(33-43)53-51-36-46-18-8-7-17-45(46)35-50(51)49-23-9-10-24-52(49)57-53;40-36-16-8-14-34(26-36)30-19-17-29(18-20-30)33-13-7-15-35(25-33)39-42-37(31-11-5-2-6-12-31)41-38(43-39)32-23-21-28(22-24-32)27-9-3-1-4-10-27;1-22(2)23(3,4)27-24(26-22)21-19-14-16-10-6-5-9-15(16)13-18(19)17-11-7-8-12-20(17)25-21/h1-36H;1-26H;5-14H,1-4H3
InChIKeyIJSHSAMVJLYVAS-UHFFFAOYSA-N
MW1736.74 g/mol
LogP29.87
Rot. Bonds14

About 2-[3-[4-(3-bromophenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;6-[3-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[j]phenanthridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine

2-[3-[4-(3-bromophenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;6-[3-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[j]phenanthridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine (PubChem CID 158719370) has the molecular formula C118H84BBrN8O2 and a molecular weight of 1736.74 g/mol. Its IUPAC name is 2-[3-[4-(3-bromophenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;6-[3-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[j]phenanthridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine.

Molecular Properties

Compound Name2-[3-[4-(3-bromophenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;6-[3-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[j]phenanthridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine
PubChem CID158719370
Molecular FormulaC118H84BBrN8O2
Molecular Weight1736.74 g/mol
Exact Mass1734.60
IUPAC Name2-[3-[4-(3-bromophenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;6-[3-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[j]phenanthridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine
SMILESBrc1cccc(-c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3)cc2)c1.CC1(C)OB(c2nc3ccccc3c3cc4ccccc4cc23)OC1(C)C.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc(-c6cccc(-c7nc8ccccc8c8cc9ccccc9cc78)c6)cc5)c4)n3)cc2)cc1
InChIInChI=1S/C56H36N4.C39H26BrN3.C23H22BNO2/c1-3-13-37(14-4-1)38-29-31-42(32-30-38)55-58-54(41-15-5-2-6-16-41)59-56(60-55)48-22-12-20-44(34-48)40-27-25-39(26-28-40)43-19-11-21-47(33-43)53-51-36-46-18-8-7-17-45(46)35-50(51)49-23-9-10-24-52(49)57-53;40-36-16-8-14-34(26-36)30-19-17-29(18-20-30)33-13-7-15-35(25-33)39-42-37(31-11-5-2-6-12-31)41-38(43-39)32-23-21-28(22-24-32)27-9-3-1-4-10-27;1-22(2)23(3,4)27-24(26-22)21-19-14-16-10-6-5-9-15(16)13-18(19)17-11-7-8-12-20(17)25-21/h1-36H;1-26H;5-14H,1-4H3
InChIKeyIJSHSAMVJLYVAS-UHFFFAOYSA-N
XLogP29.87
TPSA121.58 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms130
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001736.74
LogP ≤ 529.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[3-[4-(3-bromophenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;6-[3-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[j]phenanthridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4,4''-Di(2-quinolyl)-1,1':3',1''-terphenyl-5-yl]-4,6-di-p-tolyl-1,3,5-triazine
CID 67356244
8-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)-5-quinolin-2-ylphenyl]-6-phenylbenzo[k]phenanthridine
CID 118332233
9-[3-(4,6-Dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-quinolin-2-ylphenyl]-6-phenylbenzo[k]phenanthridine
CID 118332323
9-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)-5-quinolin-2-ylphenyl]-6-phenylbenzo[k]phenanthridine
CID 118332325
2-[3-[4,6-Bis(3-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-5-quinolin-2-ylphenyl]quinoline
CID 118582380
8-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665134
6,8-Bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665135
6-[3,5-Bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665138
8-[4,6-Bis(4-quinolin-2-ylphenyl)-1,3,5-triazin-2-yl]-6-naphthalen-2-ylbenzo[k]phenanthridine
CID 122665259
8-(4,6-Diphenyl-1,3,5-triazin-2-yl)-6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665422
6,8-Bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665466
8-(4,6-Diphenyl-1,3,5-triazin-2-yl)-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665730

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(3-bromophenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;6-[3-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[j]phenanthridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine?
The IUPAC name of 2-[3-[4-(3-bromophenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;6-[3-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[j]phenanthridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine (CID 158719370) is 2-[3-[4-(3-bromophenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;6-[3-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[j]phenanthridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine.
What is the SMILES notation for 2-[3-[4-(3-bromophenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;6-[3-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[j]phenanthridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine?
The canonical SMILES for 2-[3-[4-(3-bromophenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;6-[3-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[j]phenanthridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine is Brc1cccc(-c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3)cc2)c1.CC1(C)OB(c2nc3ccccc3c3cc4ccccc4cc23)OC1(C)C.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc(-c6cccc(-c7nc8ccccc8c8cc9ccccc9cc78)c6)cc5)c4)n3)cc2)cc1.
What is the InChIKey of 2-[3-[4-(3-bromophenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;6-[3-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[j]phenanthridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine?
The InChIKey is IJSHSAMVJLYVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N4.C39H26BrN3.C23H22BNO2/c1-3-13-37(14-4-1)38-29-31-42(32-30-38)55-58-54(41-15-5-2-6-16-41)59-56(60-55)48-22-12-20-44(34-48)40-27-25-39(26-28-40)43-19-11-21-47(33-43)53-51-36-46-18-8-7-17-45(46)35-50(51)49-23-9-10-24-52(49)57-53;40-36-16-8-14-34(26-36)30-19-17-29(18-20-30)33-13-7-15-35(25-33)39-42-37(31-11-5-2-6-12-31)41-38(43-39)32-23-21-28(22-24-32)27-9-3-1-4-10-27;1-22(2)23(3,4)27-24(26-22)21-19-14-16-10-6-5-9-15(16)13-18(19)17-11-7-8-12-20(17)25-21/h1-36H;1-26H;5-14H,1-4H3.
What are the key properties of 2-[3-[4-(3-bromophenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;6-[3-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[j]phenanthridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine?
2-[3-[4-(3-bromophenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;6-[3-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[j]phenanthridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine has a molecular weight of 1736.74 g/mol, XLogP of 29.87, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(3-bromophenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;6-[3-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[j]phenanthridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine is sourced from PubChem (CID 158719370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).