5-bromo-2-iodopyridine;tris(4-(5-bromo-2-pyridinyl)-N,N-diphenylaniline);N,N-diphenyl-4-[5-[6-[4-(N-phenylanilino)phenyl]-3-pyridinyl]-2-pyridinyl]aniline;bis(N,N-diphenyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]aniline);[4-(N-phenylanilino)phenyl]boronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C208H186B5Br4IN16O10 — CID 159445916

IUPAC5-bromo-2-iodopyridine;tris(4-(5-bromo-2-pyridinyl)-N,N-diphenylaniline);N,N-diphenyl-4-[5-[6-[4-(N-phenylanilino)phenyl]-3-pyridinyl]-2-pyridinyl]aniline;bis(N,N-diphenyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]aniline);[4-(N-phenylanilino)phenyl]boronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESBrc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)nc1.Brc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)nc1.Brc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)nc1.Brc1ccc(I)nc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc2)OC1(C)C.CC1(C)OB(c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc2)OC1(C)C.OB(O)c1ccc(N(c2ccccc2)c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)nc4)cn3)cc2)cc1
InChIInChI=1S/C46H34N4.2C29H29BN2O2.3C23H17BrN2.C18H16BNO2.C12H24B2O4.C5H3BrIN/c1-5-13-39(14-6-1)49(40-15-7-2-8-16-40)43-27-21-35(22-28-43)45-31-25-37(33-47-45)38-26-32-46(48-34-38)36-23-29-44(30-24-36)50(41-17-9-3-10-18-41)42-19-11-4-12-20-42;2*1-28(2)29(3,4)34-30(33-28)23-17-20-27(31-21-23)22-15-18-26(19-16-22)32(24-11-7-5-8-12-24)25-13-9-6-10-14-25;3*24-19-13-16-23(25-17-19)18-11-14-22(15-12-18)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21;21-19(22)15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;6-4-1-2-5(7)8-3-4/h1-34H;2*5-21H,1-4H3;3*1-17H;1-14,21-22H;1-8H3;1-3H
InChIKeyLSTKFJSPBUTOFQ-UHFFFAOYSA-N
MW3570.46 g/mol
LogP53.93
Rot. Bonds36

About 5-bromo-2-iodopyridine;tris(4-(5-bromo-2-pyridinyl)-N,N-diphenylaniline);N,N-diphenyl-4-[5-[6-[4-(N-phenylanilino)phenyl]-3-pyridinyl]-2-pyridinyl]aniline;bis(N,N-diphenyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]aniline);[4-(N-phenylanilino)phenyl]boronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

5-bromo-2-iodopyridine;tris(4-(5-bromo-2-pyridinyl)-N,N-diphenylaniline);N,N-diphenyl-4-[5-[6-[4-(N-phenylanilino)phenyl]-3-pyridinyl]-2-pyridinyl]aniline;bis(N,N-diphenyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]aniline);[4-(N-phenylanilino)phenyl]boronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 159445916) has the molecular formula C208H186B5Br4IN16O10 and a molecular weight of 3570.46 g/mol. Its IUPAC name is 5-bromo-2-iodopyridine;tris(4-(5-bromo-2-pyridinyl)-N,N-diphenylaniline);N,N-diphenyl-4-[5-[6-[4-(N-phenylanilino)phenyl]-3-pyridinyl]-2-pyridinyl]aniline;bis(N,N-diphenyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]aniline);[4-(N-phenylanilino)phenyl]boronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name5-bromo-2-iodopyridine;tris(4-(5-bromo-2-pyridinyl)-N,N-diphenylaniline);N,N-diphenyl-4-[5-[6-[4-(N-phenylanilino)phenyl]-3-pyridinyl]-2-pyridinyl]aniline;bis(N,N-diphenyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]aniline);[4-(N-phenylanilino)phenyl]boronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
PubChem CID159445916
Molecular FormulaC208H186B5Br4IN16O10
Molecular Weight3570.46 g/mol
Exact Mass3565.08
IUPAC Name5-bromo-2-iodopyridine;tris(4-(5-bromo-2-pyridinyl)-N,N-diphenylaniline);N,N-diphenyl-4-[5-[6-[4-(N-phenylanilino)phenyl]-3-pyridinyl]-2-pyridinyl]aniline;bis(N,N-diphenyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]aniline);[4-(N-phenylanilino)phenyl]boronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESBrc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)nc1.Brc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)nc1.Brc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)nc1.Brc1ccc(I)nc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc2)OC1(C)C.CC1(C)OB(c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc2)OC1(C)C.OB(O)c1ccc(N(c2ccccc2)c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)nc4)cn3)cc2)cc1
InChIInChI=1S/C46H34N4.2C29H29BN2O2.3C23H17BrN2.C18H16BNO2.C12H24B2O4.C5H3BrIN/c1-5-13-39(14-6-1)49(40-15-7-2-8-16-40)43-27-21-35(22-28-43)45-31-25-37(33-47-45)38-26-32-46(48-34-38)36-23-29-44(30-24-36)50(41-17-9-3-10-18-41)42-19-11-4-12-20-42;2*1-28(2)29(3,4)34-30(33-28)23-17-20-27(31-21-23)22-15-18-26(19-16-22)32(24-11-7-5-8-12-24)25-13-9-6-10-14-25;3*24-19-13-16-23(25-17-19)18-11-14-22(15-12-18)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21;21-19(22)15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;6-4-1-2-5(7)8-3-4/h1-34H;2*5-21H,1-4H3;3*1-17H;1-14,21-22H;1-8H3;1-3H
InChIKeyLSTKFJSPBUTOFQ-UHFFFAOYSA-N
XLogP53.93
TPSA243.34 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds36
Heavy Atoms244
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003570.46
LogP ≤ 553.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 5-bromo-2-iodopyridine;tris(4-(5-bromo-2-pyridinyl)-N,N-diphenylaniline);N,N-diphenyl-4-[5-[6-[4-(N-phenylanilino)phenyl]-3-pyridinyl]-2-pyridinyl]aniline;bis(N,N-diphenyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]aniline);[4-(N-phenylanilino)phenyl]boronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane with MolForge

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Related Compounds

CID 157149127
CID 157149127
3-[3-[3-(3-Bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;3-[3-[3-(3-pyridin-3-ylphenyl)-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157391514
3-Bromo-2-pyridin-4-ylpyridine;2,3-dibromopyridine;2-(1-hexylpyridin-1-ium-4-yl)-3-[2-(1-hexylpyridin-1-ium-4-yl)-1-methylpyridin-1-ium-3-yl]-1-methylpyridin-1-ium;2-(1-hexylpyridin-1-ium-4-yl)-3-[2-(1-hexylpyridin-1-ium-4-yl)-3-pyridinyl]pyridine;palladium;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;tetrakis(triphenylphosphane)
CID 157442864
10-(3-Bromophenyl)-5-phenyl-2-pyridin-2-ylbenzo[b][1,4]benzazaborinine;5-phenyl-2-pyridin-2-yl-10-(3-pyridin-2-ylphenyl)benzo[b][1,4]benzazaborinine;pyridin-2-ylboronic acid
CID 157456934
1-Bromo-4-(4-iodophenyl)benzene;bis(6-[4-(4-bromophenyl)phenyl]benzo[h]quinoline);6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[h]quinoline;6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157484270
Potassium;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-5-[3-[3-(3-pyridin-2-ylphenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;3,5-dibromopyridine;hydride;molecular iodine;3-[3-[3-(3-pyridin-3-ylphenyl)-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]pyridine
CID 157565624
3,5-Dibromopyridine;3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-[3-(3-phenyl-5-pyridin-3-ylphenyl)phenyl]pyridine;3-[3-pyridin-3-yl-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine;triiodide;hydrate
CID 157667683
1-Bromo-3-iodobenzene;3-(3-bromophenyl)pyridine;pyridin-3-ylboronic acid;3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157717793
1-bromo-4-iodobenzene;5-bromo-2-iodopyridine;9-(4-bromophenyl)carbazole;bis(9-[4-(5-bromo-2-pyridinyl)phenyl]carbazole);9H-fluorene;bis(9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole);bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane)
CID 157878485
3,5-Bis[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-[3-[3-(3-chlorophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;3,5-dibromopyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158024458
1-Bromo-4-iodobenzene;bis(3-(4-bromophenyl)phenanthridine);3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthridine;3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158119687
1-Bromo-3-(3-bromophenyl)benzene;4-[3-(3-bromophenyl)phenyl]-2,6-dipyridin-4-ylpyridine;2,6-dipyridin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 158157994

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-iodopyridine;tris(4-(5-bromo-2-pyridinyl)-N,N-diphenylaniline);N,N-diphenyl-4-[5-[6-[4-(N-phenylanilino)phenyl]-3-pyridinyl]-2-pyridinyl]aniline;bis(N,N-diphenyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]aniline);[4-(N-phenylanilino)phenyl]boronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of 5-bromo-2-iodopyridine;tris(4-(5-bromo-2-pyridinyl)-N,N-diphenylaniline);N,N-diphenyl-4-[5-[6-[4-(N-phenylanilino)phenyl]-3-pyridinyl]-2-pyridinyl]aniline;bis(N,N-diphenyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]aniline);[4-(N-phenylanilino)phenyl]boronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 159445916) is 5-bromo-2-iodopyridine;tris(4-(5-bromo-2-pyridinyl)-N,N-diphenylaniline);N,N-diphenyl-4-[5-[6-[4-(N-phenylanilino)phenyl]-3-pyridinyl]-2-pyridinyl]aniline;bis(N,N-diphenyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]aniline);[4-(N-phenylanilino)phenyl]boronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 5-bromo-2-iodopyridine;tris(4-(5-bromo-2-pyridinyl)-N,N-diphenylaniline);N,N-diphenyl-4-[5-[6-[4-(N-phenylanilino)phenyl]-3-pyridinyl]-2-pyridinyl]aniline;bis(N,N-diphenyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]aniline);[4-(N-phenylanilino)phenyl]boronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 5-bromo-2-iodopyridine;tris(4-(5-bromo-2-pyridinyl)-N,N-diphenylaniline);N,N-diphenyl-4-[5-[6-[4-(N-phenylanilino)phenyl]-3-pyridinyl]-2-pyridinyl]aniline;bis(N,N-diphenyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]aniline);[4-(N-phenylanilino)phenyl]boronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)nc1.Brc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)nc1.Brc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)nc1.Brc1ccc(I)nc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc2)OC1(C)C.CC1(C)OB(c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc2)OC1(C)C.OB(O)c1ccc(N(c2ccccc2)c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)nc4)cn3)cc2)cc1.
What is the InChIKey of 5-bromo-2-iodopyridine;tris(4-(5-bromo-2-pyridinyl)-N,N-diphenylaniline);N,N-diphenyl-4-[5-[6-[4-(N-phenylanilino)phenyl]-3-pyridinyl]-2-pyridinyl]aniline;bis(N,N-diphenyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]aniline);[4-(N-phenylanilino)phenyl]boronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is LSTKFJSPBUTOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N4.2C29H29BN2O2.3C23H17BrN2.C18H16BNO2.C12H24B2O4.C5H3BrIN/c1-5-13-39(14-6-1)49(40-15-7-2-8-16-40)43-27-21-35(22-28-43)45-31-25-37(33-47-45)38-26-32-46(48-34-38)36-23-29-44(30-24-36)50(41-17-9-3-10-18-41)42-19-11-4-12-20-42;2*1-28(2)29(3,4)34-30(33-28)23-17-20-27(31-21-23)22-15-18-26(19-16-22)32(24-11-7-5-8-12-24)25-13-9-6-10-14-25;3*24-19-13-16-23(25-17-19)18-11-14-22(15-12-18)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21;21-19(22)15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;6-4-1-2-5(7)8-3-4/h1-34H;2*5-21H,1-4H3;3*1-17H;1-14,21-22H;1-8H3;1-3H.
What are the key properties of 5-bromo-2-iodopyridine;tris(4-(5-bromo-2-pyridinyl)-N,N-diphenylaniline);N,N-diphenyl-4-[5-[6-[4-(N-phenylanilino)phenyl]-3-pyridinyl]-2-pyridinyl]aniline;bis(N,N-diphenyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]aniline);[4-(N-phenylanilino)phenyl]boronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
5-bromo-2-iodopyridine;tris(4-(5-bromo-2-pyridinyl)-N,N-diphenylaniline);N,N-diphenyl-4-[5-[6-[4-(N-phenylanilino)phenyl]-3-pyridinyl]-2-pyridinyl]aniline;bis(N,N-diphenyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]aniline);[4-(N-phenylanilino)phenyl]boronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 3570.46 g/mol, XLogP of 53.93, 36 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-iodopyridine;tris(4-(5-bromo-2-pyridinyl)-N,N-diphenylaniline);N,N-diphenyl-4-[5-[6-[4-(N-phenylanilino)phenyl]-3-pyridinyl]-2-pyridinyl]aniline;bis(N,N-diphenyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]aniline);[4-(N-phenylanilino)phenyl]boronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 159445916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).