(2-boronophenyl)boronic acid;2-(3-bromophenyl)pyridine;2-(3-bromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromopyridine;platinum(2+);2-[3-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)phenyl]benzene-2-id-1-yl]pyridine;2-[3-[2-(3-pyridin-2-ylphenyl)phenyl]phenyl]pyridine

C90H74B3Br3N6O6Pt — CID 159389588

IUPAC(2-boronophenyl)boronic acid;2-(3-bromophenyl)pyridine;2-(3-bromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromopyridine;platinum(2+);2-[3-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)phenyl]benzene-2-id-1-yl]pyridine;2-[3-[2-(3-pyridin-2-ylphenyl)phenyl]phenyl]pyridine
SMILESBrc1cccc(-c2ccccn2)c1.Brc1ccccn1.CC1(C)OB(c2cccc(Br)c2)OC1(C)C.OB(O)c1ccccc1B(O)O.[Pt+2].[c-]1c(-c2ccccn2)cccc1-c1ccccc1-c1[c-]c(-c2ccccn2)ccc1.c1ccc(-c2cccc(-c3ccccc3-c3cccc(-c4ccccn4)c3)c2)nc1
InChIInChI=1S/C28H20N2.C28H18N2.C12H16BBrO2.C11H8BrN.C6H8B2O4.C5H4BrN.Pt/c2*1-2-14-26(22-10-8-12-24(20-22)28-16-4-6-18-30-28)25(13-1)21-9-7-11-23(19-21)27-15-3-5-17-29-27;1-11(2)12(3,4)16-13(15-11)9-6-5-7-10(14)8-9;12-10-5-3-4-9(8-10)11-6-1-2-7-13-11;9-7(10)5-3-1-2-4-6(5)8(11)12;6-5-3-1-2-4-7-5;/h1-20H;1-18H;5-8H,1-4H3;1-8H;1-4,9-12H;1-4H;/q;-2;;;;;+2
InChIKeyBSRDHKZZXFQNSY-UHFFFAOYSA-N
MW1802.84 g/mol
LogP19.04
Rot. Bonds12

About (2-boronophenyl)boronic acid;2-(3-bromophenyl)pyridine;2-(3-bromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromopyridine;platinum(2+);2-[3-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)phenyl]benzene-2-id-1-yl]pyridine;2-[3-[2-(3-pyridin-2-ylphenyl)phenyl]phenyl]pyridine

(2-boronophenyl)boronic acid;2-(3-bromophenyl)pyridine;2-(3-bromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromopyridine;platinum(2+);2-[3-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)phenyl]benzene-2-id-1-yl]pyridine;2-[3-[2-(3-pyridin-2-ylphenyl)phenyl]phenyl]pyridine (PubChem CID 159389588) has the molecular formula C90H74B3Br3N6O6Pt and a molecular weight of 1802.84 g/mol. Its IUPAC name is (2-boronophenyl)boronic acid;2-(3-bromophenyl)pyridine;2-(3-bromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromopyridine;platinum(2+);2-[3-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)phenyl]benzene-2-id-1-yl]pyridine;2-[3-[2-(3-pyridin-2-ylphenyl)phenyl]phenyl]pyridine.

Molecular Properties

Compound Name(2-boronophenyl)boronic acid;2-(3-bromophenyl)pyridine;2-(3-bromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromopyridine;platinum(2+);2-[3-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)phenyl]benzene-2-id-1-yl]pyridine;2-[3-[2-(3-pyridin-2-ylphenyl)phenyl]phenyl]pyridine
PubChem CID159389588
Molecular FormulaC90H74B3Br3N6O6Pt
Molecular Weight1802.84 g/mol
Exact Mass1799.31
IUPAC Name(2-boronophenyl)boronic acid;2-(3-bromophenyl)pyridine;2-(3-bromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromopyridine;platinum(2+);2-[3-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)phenyl]benzene-2-id-1-yl]pyridine;2-[3-[2-(3-pyridin-2-ylphenyl)phenyl]phenyl]pyridine
SMILESBrc1cccc(-c2ccccn2)c1.Brc1ccccn1.CC1(C)OB(c2cccc(Br)c2)OC1(C)C.OB(O)c1ccccc1B(O)O.[Pt+2].[c-]1c(-c2ccccn2)cccc1-c1ccccc1-c1[c-]c(-c2ccccn2)ccc1.c1ccc(-c2cccc(-c3ccccc3-c3cccc(-c4ccccn4)c3)c2)nc1
InChIInChI=1S/C28H20N2.C28H18N2.C12H16BBrO2.C11H8BrN.C6H8B2O4.C5H4BrN.Pt/c2*1-2-14-26(22-10-8-12-24(20-22)28-16-4-6-18-30-28)25(13-1)21-9-7-11-23(19-21)27-15-3-5-17-29-27;1-11(2)12(3,4)16-13(15-11)9-6-5-7-10(14)8-9;12-10-5-3-4-9(8-10)11-6-1-2-7-13-11;9-7(10)5-3-1-2-4-6(5)8(11)12;6-5-3-1-2-4-7-5;/h1-20H;1-18H;5-8H,1-4H3;1-8H;1-4,9-12H;1-4H;/q;-2;;;;;+2
InChIKeyBSRDHKZZXFQNSY-UHFFFAOYSA-N
XLogP19.04
TPSA176.72 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001802.84
LogP ≤ 519.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (2-boronophenyl)boronic acid;2-(3-bromophenyl)pyridine;2-(3-bromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromopyridine;platinum(2+);2-[3-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)phenyl]benzene-2-id-1-yl]pyridine;2-[3-[2-(3-pyridin-2-ylphenyl)phenyl]phenyl]pyridine with MolForge

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Related Compounds

3-[3-[3-(3-Bromophenyl)-5-[3-[5-(trifluoromethyl)-3-pyridinyl]phenyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine;3-[3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-[3-[5-(trifluoromethyl)-3-pyridinyl]phenyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158125406
3-Bromo-5-phenylbenzonitrile;3,5-dibromobenzonitrile;bis(iridium);methanol;bis(2-methyl-6-phenylpyridine);phenylboronic acid;3-phenyl-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile;3-phenyl-5-(3-pyridin-2-ylphenyl)benzonitrile;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;trifluoromethanesulfonate
CID 160856214
3-Bromobenzonitrile;bis(iridium);methanol;bis(2-methyl-6-phenylpyridine);3-(2-phenyl-4-pyridinyl)benzonitrile;3-(2-phenyl-4-pyridinyl)benzonitrile;2-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;trifluoromethanesulfonate
CID 161584703
Iridium(3+);2-phenyl-5-[2-[3-[2-(6-phenyl-3-pyridinyl)phenyl]-5-[2-[6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]phenyl]phenyl]phenyl]pyridine
CID 141674098
5-[2-[3,5-Bis[2-[6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-phenylpyridine;iridium(3+)
CID 141674150
4-(3-Bromophenyl)pyridine;ethane;7-phenyl-5,9-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydrobenzo[c]carbazole
CID 144195951
1-Bromo-3-(3-bromophenyl)benzene;2-[3-[2-[3-(3-bromophenyl)phenyl]phenyl]phenyl]pyridine;4-hydroxypent-3-en-2-one;iridium;2-[3-(2-methylphenyl)phenyl]pyridine;2-phenyl-4-[2-[3-[3-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine;2-[3-[2-[3-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 157079551
5-Bromo-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine;methane;2-[10-(4-phenylphenyl)anthracen-9-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157117466
9-[4-(5-Bromo-2-pyridinyl)phenyl]carbazole;2,5-dibromopyridine;9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
CID 157131577
2-Bromo-5-(10-pyridin-4-ylanthracen-9-yl)pyridine;methane;5-(10-pyridin-4-ylanthracen-9-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157146169
(2-Boronophenyl)boronic acid;2-bromo-5-(2-methylpropyl)pyridine;2-(3-bromophenyl)-5-(2-methylpropyl)pyridine;5-(2-methylpropyl)-2-[3-[2-[3-[5-(2-methylpropyl)-2-pyridinyl]benzene-2-id-1-yl]phenyl]benzene-2-id-1-yl]pyridine;2-[3-[2-[3-[5-(2-methylpropyl)-2-pyridinyl]phenyl]phenyl]phenyl]-5-propan-2-ylpyridine;platinum(2+)
CID 157155237
2-Bromo-5-methyl-4-(4-phenylphenyl)pyridine;2-(3-bromo-5-phenylphenyl)-5-methyl-4-(4-phenylphenyl)pyridine;2-(3-bromo-5-phenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 157201075

Frequently Asked Questions

What is the IUPAC name of (2-boronophenyl)boronic acid;2-(3-bromophenyl)pyridine;2-(3-bromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromopyridine;platinum(2+);2-[3-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)phenyl]benzene-2-id-1-yl]pyridine;2-[3-[2-(3-pyridin-2-ylphenyl)phenyl]phenyl]pyridine?
The IUPAC name of (2-boronophenyl)boronic acid;2-(3-bromophenyl)pyridine;2-(3-bromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromopyridine;platinum(2+);2-[3-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)phenyl]benzene-2-id-1-yl]pyridine;2-[3-[2-(3-pyridin-2-ylphenyl)phenyl]phenyl]pyridine (CID 159389588) is (2-boronophenyl)boronic acid;2-(3-bromophenyl)pyridine;2-(3-bromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromopyridine;platinum(2+);2-[3-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)phenyl]benzene-2-id-1-yl]pyridine;2-[3-[2-(3-pyridin-2-ylphenyl)phenyl]phenyl]pyridine.
What is the SMILES notation for (2-boronophenyl)boronic acid;2-(3-bromophenyl)pyridine;2-(3-bromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromopyridine;platinum(2+);2-[3-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)phenyl]benzene-2-id-1-yl]pyridine;2-[3-[2-(3-pyridin-2-ylphenyl)phenyl]phenyl]pyridine?
The canonical SMILES for (2-boronophenyl)boronic acid;2-(3-bromophenyl)pyridine;2-(3-bromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromopyridine;platinum(2+);2-[3-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)phenyl]benzene-2-id-1-yl]pyridine;2-[3-[2-(3-pyridin-2-ylphenyl)phenyl]phenyl]pyridine is Brc1cccc(-c2ccccn2)c1.Brc1ccccn1.CC1(C)OB(c2cccc(Br)c2)OC1(C)C.OB(O)c1ccccc1B(O)O.[Pt+2].[c-]1c(-c2ccccn2)cccc1-c1ccccc1-c1[c-]c(-c2ccccn2)ccc1.c1ccc(-c2cccc(-c3ccccc3-c3cccc(-c4ccccn4)c3)c2)nc1.
What is the InChIKey of (2-boronophenyl)boronic acid;2-(3-bromophenyl)pyridine;2-(3-bromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromopyridine;platinum(2+);2-[3-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)phenyl]benzene-2-id-1-yl]pyridine;2-[3-[2-(3-pyridin-2-ylphenyl)phenyl]phenyl]pyridine?
The InChIKey is BSRDHKZZXFQNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2.C28H18N2.C12H16BBrO2.C11H8BrN.C6H8B2O4.C5H4BrN.Pt/c2*1-2-14-26(22-10-8-12-24(20-22)28-16-4-6-18-30-28)25(13-1)21-9-7-11-23(19-21)27-15-3-5-17-29-27;1-11(2)12(3,4)16-13(15-11)9-6-5-7-10(14)8-9;12-10-5-3-4-9(8-10)11-6-1-2-7-13-11;9-7(10)5-3-1-2-4-6(5)8(11)12;6-5-3-1-2-4-7-5;/h1-20H;1-18H;5-8H,1-4H3;1-8H;1-4,9-12H;1-4H;/q;-2;;;;;+2.
What are the key properties of (2-boronophenyl)boronic acid;2-(3-bromophenyl)pyridine;2-(3-bromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromopyridine;platinum(2+);2-[3-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)phenyl]benzene-2-id-1-yl]pyridine;2-[3-[2-(3-pyridin-2-ylphenyl)phenyl]phenyl]pyridine?
(2-boronophenyl)boronic acid;2-(3-bromophenyl)pyridine;2-(3-bromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromopyridine;platinum(2+);2-[3-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)phenyl]benzene-2-id-1-yl]pyridine;2-[3-[2-(3-pyridin-2-ylphenyl)phenyl]phenyl]pyridine has a molecular weight of 1802.84 g/mol, XLogP of 19.04, 12 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2-boronophenyl)boronic acid;2-(3-bromophenyl)pyridine;2-(3-bromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromopyridine;platinum(2+);2-[3-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)phenyl]benzene-2-id-1-yl]pyridine;2-[3-[2-(3-pyridin-2-ylphenyl)phenyl]phenyl]pyridine is sourced from PubChem (CID 159389588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).