2,3-bis(4-bromophenyl)-6-pyridin-2-ylpyridine;2,3-bis[4-(10-phenylanthracen-9-yl)phenyl]-6-pyridin-2-ylpyridine;methane;(10-phenylanthracen-9-yl)boronic acid

C105H73BBr2N4O2 — CID 157358777

IUPAC2,3-bis(4-bromophenyl)-6-pyridin-2-ylpyridine;2,3-bis[4-(10-phenylanthracen-9-yl)phenyl]-6-pyridin-2-ylpyridine;methane;(10-phenylanthracen-9-yl)boronic acid
SMILESBrc1ccc(-c2ccc(-c3ccccn3)nc2-c2ccc(Br)cc2)cc1.C.OB(O)c1c2ccccc2c(-c2ccccc2)c2ccccc12.c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc(-c5ccccn5)nc4-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)cc3)c3ccccc23)cc1
InChIInChI=1S/C62H40N2.C22H14Br2N2.C20H15BO2.CH4/c1-3-17-42(18-4-1)58-48-21-7-11-25-52(48)60(53-26-12-8-22-49(53)58)44-32-30-41(31-33-44)47-38-39-57(56-29-15-16-40-63-56)64-62(47)46-36-34-45(35-37-46)61-54-27-13-9-23-50(54)59(43-19-5-2-6-20-43)51-24-10-14-28-55(51)61;23-17-8-4-15(5-9-17)19-12-13-21(20-3-1-2-14-25-20)26-22(19)16-6-10-18(24)11-7-16;22-21(23)20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20;/h1-40H;1-14H;1-13,22-23H;1H4
InChIKeyBIJVTKDSDUNIRL-UHFFFAOYSA-N
MW1593.38 g/mol
LogP27.74
Rot. Bonds12

About 2,3-bis(4-bromophenyl)-6-pyridin-2-ylpyridine;2,3-bis[4-(10-phenylanthracen-9-yl)phenyl]-6-pyridin-2-ylpyridine;methane;(10-phenylanthracen-9-yl)boronic acid

2,3-bis(4-bromophenyl)-6-pyridin-2-ylpyridine;2,3-bis[4-(10-phenylanthracen-9-yl)phenyl]-6-pyridin-2-ylpyridine;methane;(10-phenylanthracen-9-yl)boronic acid (PubChem CID 157358777) has the molecular formula C105H73BBr2N4O2 and a molecular weight of 1593.38 g/mol. Its IUPAC name is 2,3-bis(4-bromophenyl)-6-pyridin-2-ylpyridine;2,3-bis[4-(10-phenylanthracen-9-yl)phenyl]-6-pyridin-2-ylpyridine;methane;(10-phenylanthracen-9-yl)boronic acid.

Molecular Properties

Compound Name2,3-bis(4-bromophenyl)-6-pyridin-2-ylpyridine;2,3-bis[4-(10-phenylanthracen-9-yl)phenyl]-6-pyridin-2-ylpyridine;methane;(10-phenylanthracen-9-yl)boronic acid
PubChem CID157358777
Molecular FormulaC105H73BBr2N4O2
Molecular Weight1593.38 g/mol
Exact Mass1590.42
IUPAC Name2,3-bis(4-bromophenyl)-6-pyridin-2-ylpyridine;2,3-bis[4-(10-phenylanthracen-9-yl)phenyl]-6-pyridin-2-ylpyridine;methane;(10-phenylanthracen-9-yl)boronic acid
SMILESBrc1ccc(-c2ccc(-c3ccccn3)nc2-c2ccc(Br)cc2)cc1.C.OB(O)c1c2ccccc2c(-c2ccccc2)c2ccccc12.c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc(-c5ccccn5)nc4-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)cc3)c3ccccc23)cc1
InChIInChI=1S/C62H40N2.C22H14Br2N2.C20H15BO2.CH4/c1-3-17-42(18-4-1)58-48-21-7-11-25-52(48)60(53-26-12-8-22-49(53)58)44-32-30-41(31-33-44)47-38-39-57(56-29-15-16-40-63-56)64-62(47)46-36-34-45(35-37-46)61-54-27-13-9-23-50(54)59(43-19-5-2-6-20-43)51-24-10-14-28-55(51)61;23-17-8-4-15(5-9-17)19-12-13-21(20-3-1-2-14-25-20)26-22(19)16-6-10-18(24)11-7-16;22-21(23)20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20;/h1-40H;1-14H;1-13,22-23H;1H4
InChIKeyBIJVTKDSDUNIRL-UHFFFAOYSA-N
XLogP27.74
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001593.38
LogP ≤ 527.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,3-bis(4-bromophenyl)-6-pyridin-2-ylpyridine;2,3-bis[4-(10-phenylanthracen-9-yl)phenyl]-6-pyridin-2-ylpyridine;methane;(10-phenylanthracen-9-yl)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

N-[[10-[[bis(2-pyridylmethyl)amino]methyl]-9-anthryl]methyl]-1-(2-pyridyl)-N-(2-pyridylmethyl)methanamine
CID 10175868
1,3,6,8-Tetra(pyrid-2-yl)pyrene
CID 57567902
2,7-Di(2,2'-bipyridin-5-yl)triphenylene
CID 86709927
(6-Methyl-3-pyridinyl)boronic acid;2-[3-[3-[3-(6-methyl-3-pyridinyl)phenyl]-5-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine;1,3,5-tris(3-bromophenyl)benzene
CID 157242619
4-Bromo-1-phenylisoquinoline;1-[4-(4-tert-butylphenyl)phenyl]isoquinoline;1-[4-(4-fluorophenyl)phenyl]isoquinoline;4-methyl-1-phenylisoquinoline;1-[4-(4-methylphenyl)phenyl]isoquinoline;1-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]isoquinoline;1-(4-phenylphenyl)isoquinoline;1-[4-[4-(trifluoromethyl)phenyl]phenyl]isoquinoline
CID 157571622
4-Bromo-1-(4-tert-butylphenyl)isoquinoline;4-bromo-1-(4-methylphenyl)isoquinoline;1-(3-bromophenyl)isoquinoline;1-(3-tert-butylphenyl)isoquinoline;1-(4-tert-butylphenyl)-4-methylisoquinoline;1-(3-fluorophenyl)isoquinoline;4-methyl-1-(4-methylphenyl)isoquinoline;1-(3-methylphenyl)isoquinoline;1-[3-(trifluoromethyl)phenyl]isoquinoline;1-[3-[4-(trifluoromethyl)phenyl]phenyl]isoquinoline
CID 159504461
4-[8-(2,6-Dipyridin-2-yl-4-pyridinyl)anthracen-1-yl]-2,6-dipyridin-2-ylpyridine
CID 11982072
16,17-Dimethyl-12,21-diazoniaheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4,6,8,10,16,21(30),22,24,26,28-tridecaene;bis(tetraphenylboranuide)
CID 71567847
1-[8-[[bis(pyridin-2-ylmethyl)amino]methyl]anthracen-1-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 101185020
Bis-pyrenyl-terpyridine
CID 129860597
Bis(16,17-dimethyl-12,21-diazoniaheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4,6,8,10,16,21(30),22,24,26,28-tridecaene);tetrabromide
CID 139092550
4-[1-[(4-Bromophenyl)methyl]pyridin-1-ium-4-yl]-2,6-dipyridin-2-ylpyridine perchlorate
CID 168338921

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-bromophenyl)-6-pyridin-2-ylpyridine;2,3-bis[4-(10-phenylanthracen-9-yl)phenyl]-6-pyridin-2-ylpyridine;methane;(10-phenylanthracen-9-yl)boronic acid?
The IUPAC name of 2,3-bis(4-bromophenyl)-6-pyridin-2-ylpyridine;2,3-bis[4-(10-phenylanthracen-9-yl)phenyl]-6-pyridin-2-ylpyridine;methane;(10-phenylanthracen-9-yl)boronic acid (CID 157358777) is 2,3-bis(4-bromophenyl)-6-pyridin-2-ylpyridine;2,3-bis[4-(10-phenylanthracen-9-yl)phenyl]-6-pyridin-2-ylpyridine;methane;(10-phenylanthracen-9-yl)boronic acid.
What is the SMILES notation for 2,3-bis(4-bromophenyl)-6-pyridin-2-ylpyridine;2,3-bis[4-(10-phenylanthracen-9-yl)phenyl]-6-pyridin-2-ylpyridine;methane;(10-phenylanthracen-9-yl)boronic acid?
The canonical SMILES for 2,3-bis(4-bromophenyl)-6-pyridin-2-ylpyridine;2,3-bis[4-(10-phenylanthracen-9-yl)phenyl]-6-pyridin-2-ylpyridine;methane;(10-phenylanthracen-9-yl)boronic acid is Brc1ccc(-c2ccc(-c3ccccn3)nc2-c2ccc(Br)cc2)cc1.C.OB(O)c1c2ccccc2c(-c2ccccc2)c2ccccc12.c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc(-c5ccccn5)nc4-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)cc3)c3ccccc23)cc1.
What is the InChIKey of 2,3-bis(4-bromophenyl)-6-pyridin-2-ylpyridine;2,3-bis[4-(10-phenylanthracen-9-yl)phenyl]-6-pyridin-2-ylpyridine;methane;(10-phenylanthracen-9-yl)boronic acid?
The InChIKey is BIJVTKDSDUNIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N2.C22H14Br2N2.C20H15BO2.CH4/c1-3-17-42(18-4-1)58-48-21-7-11-25-52(48)60(53-26-12-8-22-49(53)58)44-32-30-41(31-33-44)47-38-39-57(56-29-15-16-40-63-56)64-62(47)46-36-34-45(35-37-46)61-54-27-13-9-23-50(54)59(43-19-5-2-6-20-43)51-24-10-14-28-55(51)61;23-17-8-4-15(5-9-17)19-12-13-21(20-3-1-2-14-25-20)26-22(19)16-6-10-18(24)11-7-16;22-21(23)20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20;/h1-40H;1-14H;1-13,22-23H;1H4.
What are the key properties of 2,3-bis(4-bromophenyl)-6-pyridin-2-ylpyridine;2,3-bis[4-(10-phenylanthracen-9-yl)phenyl]-6-pyridin-2-ylpyridine;methane;(10-phenylanthracen-9-yl)boronic acid?
2,3-bis(4-bromophenyl)-6-pyridin-2-ylpyridine;2,3-bis[4-(10-phenylanthracen-9-yl)phenyl]-6-pyridin-2-ylpyridine;methane;(10-phenylanthracen-9-yl)boronic acid has a molecular weight of 1593.38 g/mol, XLogP of 27.74, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-bromophenyl)-6-pyridin-2-ylpyridine;2,3-bis[4-(10-phenylanthracen-9-yl)phenyl]-6-pyridin-2-ylpyridine;methane;(10-phenylanthracen-9-yl)boronic acid is sourced from PubChem (CID 157358777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).