9-bromo-10-phenylanthracene;4-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(3-pyridin-3-ylphenyl)pyrimidine;[3-[4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidin-2-yl]phenyl]boronic acid

C94H64BBrN6O2 — CID 157224024

IUPAC9-bromo-10-phenylanthracene;4-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(3-pyridin-3-ylphenyl)pyrimidine;[3-[4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidin-2-yl]phenyl]boronic acid
SMILESBrc1c2ccccc2c(-c2ccccc2)c2ccccc12.OB(O)c1cccc(-c2nc(-c3ccccc3)cc(-c3cccc(-c4cccnc4)c3)n2)c1.c1ccc(-c2cc(-c3cccc(-c4cccnc4)c3)nc(-c3cccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c3)n2)cc1
InChIInChI=1S/C47H31N3.C27H20BN3O2.C20H13Br/c1-3-14-32(15-4-1)43-30-44(35-19-11-18-34(28-35)38-22-13-27-48-31-38)50-47(49-43)37-21-12-20-36(29-37)46-41-25-9-7-23-39(41)45(33-16-5-2-6-17-33)40-24-8-10-26-42(40)46;32-28(33)24-13-5-11-22(16-24)27-30-25(19-7-2-1-3-8-19)17-26(31-27)21-10-4-9-20(15-21)23-12-6-14-29-18-23;21-20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20/h1-31H;1-18,32-33H;1-13H
InChIKeyATIFURJEEXUUQX-UHFFFAOYSA-N
MW1400.30 g/mol
LogP22.82
Rot. Bonds12

About 9-bromo-10-phenylanthracene;4-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(3-pyridin-3-ylphenyl)pyrimidine;[3-[4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidin-2-yl]phenyl]boronic acid

9-bromo-10-phenylanthracene;4-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(3-pyridin-3-ylphenyl)pyrimidine;[3-[4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidin-2-yl]phenyl]boronic acid (PubChem CID 157224024) has the molecular formula C94H64BBrN6O2 and a molecular weight of 1400.30 g/mol. Its IUPAC name is 9-bromo-10-phenylanthracene;4-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(3-pyridin-3-ylphenyl)pyrimidine;[3-[4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidin-2-yl]phenyl]boronic acid.

Molecular Properties

Compound Name9-bromo-10-phenylanthracene;4-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(3-pyridin-3-ylphenyl)pyrimidine;[3-[4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidin-2-yl]phenyl]boronic acid
PubChem CID157224024
Molecular FormulaC94H64BBrN6O2
Molecular Weight1400.30 g/mol
Exact Mass1398.44
IUPAC Name9-bromo-10-phenylanthracene;4-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(3-pyridin-3-ylphenyl)pyrimidine;[3-[4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidin-2-yl]phenyl]boronic acid
SMILESBrc1c2ccccc2c(-c2ccccc2)c2ccccc12.OB(O)c1cccc(-c2nc(-c3ccccc3)cc(-c3cccc(-c4cccnc4)c3)n2)c1.c1ccc(-c2cc(-c3cccc(-c4cccnc4)c3)nc(-c3cccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c3)n2)cc1
InChIInChI=1S/C47H31N3.C27H20BN3O2.C20H13Br/c1-3-14-32(15-4-1)43-30-44(35-19-11-18-34(28-35)38-22-13-27-48-31-38)50-47(49-43)37-21-12-20-36(29-37)46-41-25-9-7-23-39(41)45(33-16-5-2-6-17-33)40-24-8-10-26-42(40)46;32-28(33)24-13-5-11-22(16-24)27-30-25(19-7-2-1-3-8-19)17-26(31-27)21-10-4-9-20(15-21)23-12-6-14-29-18-23;21-20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20/h1-31H;1-18,32-33H;1-13H
InChIKeyATIFURJEEXUUQX-UHFFFAOYSA-N
XLogP22.82
TPSA117.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001400.30
LogP ≤ 522.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 9-bromo-10-phenylanthracene;4-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(3-pyridin-3-ylphenyl)pyrimidine;[3-[4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidin-2-yl]phenyl]boronic acid 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-(10-Bromoanthracen-9-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine
CID 102088202
2-(2,3,4-Tripyridin-2-ylnaphthalen-1-yl)pyrimidine
CID 138982227
2-[2,3,4-Tris(4-methyl-2-pyridinyl)naphthalen-1-yl]pyrimidine
CID 138982232
2-[2-(4-Methyl-2-pyridinyl)-3-(5-methyl-2-pyridinyl)-4-(6-methyl-2-pyridinyl)naphthalen-1-yl]pyrimidine
CID 138982237
2-[6-[3-Bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4-methyl-6-(trifluoromethyl)pyrimidine
CID 140838697
2-[6-[3-Bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-difluoropyrimidine
CID 140838914
4-(10-Bromo-anthracen-9-yl)-2-phenyl-6-pyridine-2-yl-pyrimidine
CID 23088516
4-(10-Bromoanthracen-9-yl)-6-naphthalen-1-yl-2-phenylpyrimidine
CID 23088561
4-(10-Phenylanthracen-9-yl)-2,6-bis(4-pyridin-2-ylphenyl)pyrimidine
CID 58322580
4-Naphthalen-2-yl-2,6-bis(4-pyridin-2-ylphenyl)pyrimidine
CID 58322587
4-Phenanthren-9-yl-2,6-bis(4-pyridin-2-ylphenyl)pyrimidine
CID 58322594
4-Naphthalen-1-yl-2,6-bis(4-pyridin-2-ylphenyl)pyrimidine
CID 58322595

Frequently Asked Questions

What is the IUPAC name of 9-bromo-10-phenylanthracene;4-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(3-pyridin-3-ylphenyl)pyrimidine;[3-[4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidin-2-yl]phenyl]boronic acid?
The IUPAC name of 9-bromo-10-phenylanthracene;4-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(3-pyridin-3-ylphenyl)pyrimidine;[3-[4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidin-2-yl]phenyl]boronic acid (CID 157224024) is 9-bromo-10-phenylanthracene;4-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(3-pyridin-3-ylphenyl)pyrimidine;[3-[4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidin-2-yl]phenyl]boronic acid.
What is the SMILES notation for 9-bromo-10-phenylanthracene;4-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(3-pyridin-3-ylphenyl)pyrimidine;[3-[4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidin-2-yl]phenyl]boronic acid?
The canonical SMILES for 9-bromo-10-phenylanthracene;4-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(3-pyridin-3-ylphenyl)pyrimidine;[3-[4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidin-2-yl]phenyl]boronic acid is Brc1c2ccccc2c(-c2ccccc2)c2ccccc12.OB(O)c1cccc(-c2nc(-c3ccccc3)cc(-c3cccc(-c4cccnc4)c3)n2)c1.c1ccc(-c2cc(-c3cccc(-c4cccnc4)c3)nc(-c3cccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c3)n2)cc1.
What is the InChIKey of 9-bromo-10-phenylanthracene;4-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(3-pyridin-3-ylphenyl)pyrimidine;[3-[4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidin-2-yl]phenyl]boronic acid?
The InChIKey is ATIFURJEEXUUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3.C27H20BN3O2.C20H13Br/c1-3-14-32(15-4-1)43-30-44(35-19-11-18-34(28-35)38-22-13-27-48-31-38)50-47(49-43)37-21-12-20-36(29-37)46-41-25-9-7-23-39(41)45(33-16-5-2-6-17-33)40-24-8-10-26-42(40)46;32-28(33)24-13-5-11-22(16-24)27-30-25(19-7-2-1-3-8-19)17-26(31-27)21-10-4-9-20(15-21)23-12-6-14-29-18-23;21-20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20/h1-31H;1-18,32-33H;1-13H.
What are the key properties of 9-bromo-10-phenylanthracene;4-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(3-pyridin-3-ylphenyl)pyrimidine;[3-[4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidin-2-yl]phenyl]boronic acid?
9-bromo-10-phenylanthracene;4-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(3-pyridin-3-ylphenyl)pyrimidine;[3-[4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidin-2-yl]phenyl]boronic acid has a molecular weight of 1400.30 g/mol, XLogP of 22.82, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-10-phenylanthracene;4-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(3-pyridin-3-ylphenyl)pyrimidine;[3-[4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidin-2-yl]phenyl]boronic acid is sourced from PubChem (CID 157224024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).