2-[4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;bis(2-[4-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine);2-(4-bromophenyl)pyridine

C150H129B4BrN12O8 — CID 158831762

IUPAC2-[4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;bis(2-[4-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine);2-(4-bromophenyl)pyridine
SMILESBrc1ccc(-c2ccccn2)cc1.CC1(C)OB(c2cc(B3OC(C)(C)C(C)(C)O3)cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)c2)OC1(C)C.CC1(C)OB(c2cc(B3OC(C)(C)C(C)(C)O3)cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)c2)OC1(C)C.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5ccc(-c6ccccn6)cc5)cc(-c5ccc(-c6ccccn6)cc5)c4)c4ccccc34)n2)cc1
InChIInChI=1S/C53H35N5.2C43H43B2N3O4.C11H8BrN/c1-3-13-40(14-4-1)51-56-52(41-15-5-2-6-16-41)58-53(57-51)48-30-29-45(46-17-7-8-18-47(46)48)44-34-42(36-21-25-38(26-22-36)49-19-9-11-31-54-49)33-43(35-44)37-23-27-39(28-24-37)50-20-10-12-32-55-50;2*1-40(2)41(3,4)50-44(49-40)31-25-30(26-32(27-31)45-51-42(5,6)43(7,8)52-45)33-23-24-36(35-22-16-15-21-34(33)35)39-47-37(28-17-11-9-12-18-28)46-38(48-39)29-19-13-10-14-20-29;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-35H;2*9-27H,1-8H3;1-8H
InChIKeyIXCZTEBSSQXEPZ-UHFFFAOYSA-N
MW2350.91 g/mol
LogP33.24
Rot. Bonds21

About 2-[4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;bis(2-[4-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine);2-(4-bromophenyl)pyridine

2-[4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;bis(2-[4-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine);2-(4-bromophenyl)pyridine (PubChem CID 158831762) has the molecular formula C150H129B4BrN12O8 and a molecular weight of 2350.91 g/mol. Its IUPAC name is 2-[4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;bis(2-[4-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine);2-(4-bromophenyl)pyridine.

Molecular Properties

Compound Name2-[4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;bis(2-[4-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine);2-(4-bromophenyl)pyridine
PubChem CID158831762
Molecular FormulaC150H129B4BrN12O8
Molecular Weight2350.91 g/mol
Exact Mass2348.96
IUPAC Name2-[4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;bis(2-[4-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine);2-(4-bromophenyl)pyridine
SMILESBrc1ccc(-c2ccccn2)cc1.CC1(C)OB(c2cc(B3OC(C)(C)C(C)(C)O3)cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)c2)OC1(C)C.CC1(C)OB(c2cc(B3OC(C)(C)C(C)(C)O3)cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)c2)OC1(C)C.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5ccc(-c6ccccn6)cc5)cc(-c5ccc(-c6ccccn6)cc5)c4)c4ccccc34)n2)cc1
InChIInChI=1S/C53H35N5.2C43H43B2N3O4.C11H8BrN/c1-3-13-40(14-4-1)51-56-52(41-15-5-2-6-16-41)58-53(57-51)48-30-29-45(46-17-7-8-18-47(46)48)44-34-42(36-21-25-38(26-22-36)49-19-9-11-31-54-49)33-43(35-44)37-23-27-39(28-24-37)50-20-10-12-32-55-50;2*1-40(2)41(3,4)50-44(49-40)31-25-30(26-32(27-31)45-51-42(5,6)43(7,8)52-45)33-23-24-36(35-22-16-15-21-34(33)35)39-47-37(28-17-11-9-12-18-28)46-38(48-39)29-19-13-10-14-20-29;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-35H;2*9-27H,1-8H3;1-8H
InChIKeyIXCZTEBSSQXEPZ-UHFFFAOYSA-N
XLogP33.24
TPSA228.52 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds21
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002350.91
LogP ≤ 533.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 2-[4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;bis(2-[4-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine);2-(4-bromophenyl)pyridine 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-[6-[4-[2-[3-[2-[4-[5-[4,6-Bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 141674161
4-(4-Bromophenyl)-6-(3-phenylphenyl)-2-pyridin-3-ylpyrimidine;phenanthren-9-ylboronic acid;4-(4-phenanthren-9-ylphenyl)-6-(3-phenylphenyl)-2-pyridin-3-ylpyrimidine
CID 157068329
6-anthracen-9-yl-N-pyridin-2-ylpyridin-2-amine;2-anthracen-9-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-bromo-N-pyridin-2-ylpyridin-2-amine
CID 157075720
4-(4-Bromophenyl)-6-[4-(4-bromophenyl)phenyl]-2-phenylpyrimidine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-1-ium;2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[4-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 157076766
2-(3-Bromo-5-phenanthren-9-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine;phenanthren-9-ylboronic acid;2-[3-phenanthren-9-yl-5-(4-pyrimidin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
CID 157102071
8-(4-Bromophenyl)quinoline;8-[4-[4-(2,5,6-triphenylpyrimidin-4-yl)phenyl]phenyl]quinoline;2,4,5-triphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
CID 157104554
2-Bromo-9,10-dinaphthalen-2-ylanthracene;8-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;methane;8-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 157109864
2-[3-Bromo-5-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine;(9,9-dimethylfluoren-2-yl)boronic acid;2-[3-(9,9-dimethylfluoren-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;(4-pyridin-2-ylphenyl)boronic acid
CID 157114405
10-Bromo-9-naphthalen-2-yl-1,2-dihydroanthracene;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;[3-[4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidin-2-yl]phenyl]boronic acid
CID 157115196
2-Chloro-4,6-diphenyl-1,3,5-triazine;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]isoquinoline;1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]isoquinoline
CID 157160901
9-Bromo-10-phenylanthracene;2-[3-(10-phenylanthracen-9-yl)phenyl]-4-pyridin-2-yl-6-(3-pyridin-3-ylphenyl)pyrimidine;[3-[4-pyridin-3-yl-6-(3-pyridin-3-ylphenyl)pyrimidin-2-yl]phenyl]boronic acid
CID 157192460
4-(3-Bromo-5-pyridin-3-ylphenyl)-2,6-diphenylpyrimidine;deuterium monohydride;4-(3,5-dibromophenyl)-2,6-diphenylpyrimidine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 157195075

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;bis(2-[4-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine);2-(4-bromophenyl)pyridine?
The IUPAC name of 2-[4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;bis(2-[4-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine);2-(4-bromophenyl)pyridine (CID 158831762) is 2-[4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;bis(2-[4-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine);2-(4-bromophenyl)pyridine.
What is the SMILES notation for 2-[4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;bis(2-[4-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine);2-(4-bromophenyl)pyridine?
The canonical SMILES for 2-[4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;bis(2-[4-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine);2-(4-bromophenyl)pyridine is Brc1ccc(-c2ccccn2)cc1.CC1(C)OB(c2cc(B3OC(C)(C)C(C)(C)O3)cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)c2)OC1(C)C.CC1(C)OB(c2cc(B3OC(C)(C)C(C)(C)O3)cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)c2)OC1(C)C.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5ccc(-c6ccccn6)cc5)cc(-c5ccc(-c6ccccn6)cc5)c4)c4ccccc34)n2)cc1.
What is the InChIKey of 2-[4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;bis(2-[4-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine);2-(4-bromophenyl)pyridine?
The InChIKey is IXCZTEBSSQXEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N5.2C43H43B2N3O4.C11H8BrN/c1-3-13-40(14-4-1)51-56-52(41-15-5-2-6-16-41)58-53(57-51)48-30-29-45(46-17-7-8-18-47(46)48)44-34-42(36-21-25-38(26-22-36)49-19-9-11-31-54-49)33-43(35-44)37-23-27-39(28-24-37)50-20-10-12-32-55-50;2*1-40(2)41(3,4)50-44(49-40)31-25-30(26-32(27-31)45-51-42(5,6)43(7,8)52-45)33-23-24-36(35-22-16-15-21-34(33)35)39-47-37(28-17-11-9-12-18-28)46-38(48-39)29-19-13-10-14-20-29;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-35H;2*9-27H,1-8H3;1-8H.
What are the key properties of 2-[4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;bis(2-[4-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine);2-(4-bromophenyl)pyridine?
2-[4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;bis(2-[4-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine);2-(4-bromophenyl)pyridine has a molecular weight of 2350.91 g/mol, XLogP of 33.24, 21 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;bis(2-[4-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine);2-(4-bromophenyl)pyridine is sourced from PubChem (CID 158831762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).