5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-(1,3-dioxolan-2-yl)pyridine;5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-ethenylpyridine;5-bromo-2-(1,3-dioxolan-2-yl)pyridine;3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;5-bromopyridine-2-carbaldehyde;[6-(1,3-dioxolan-2-yl)-3-pyridinyl]boronic acid

C139H105BBr3N11O9 — CID 158580727

IUPAC5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-(1,3-dioxolan-2-yl)pyridine;5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-ethenylpyridine;5-bromo-2-(1,3-dioxolan-2-yl)pyridine;3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;5-bromopyridine-2-carbaldehyde;[6-(1,3-dioxolan-2-yl)-3-pyridinyl]boronic acid
SMILESBrc1ccc(C2OCCO2)nc1.Brc1cccc(-c2cc(-c3cccc(-c4cccnc4)c3)cc(-c3cccc(-c4cccnc4)c3)c2)c1.C=Cc1ccc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)cn1.O=Cc1ccc(Br)cn1.OB(O)c1ccc(C2OCCO2)nc1.c1cncc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5ccc(C6OCCO6)nc5)c4)c3)c2)c1
InChIInChI=1S/C42H31N3O2.C41H29N3.C34H23BrN2.C8H10BNO4.C8H8BrNO2.C6H4BrNO/c1-6-29(35-12-4-16-43-26-35)20-32(9-1)38-23-39(33-10-2-7-30(21-33)36-13-5-17-44-27-36)25-40(24-38)34-11-3-8-31(22-34)37-14-15-41(45-28-37)42-46-18-19-47-42;1-2-41-17-16-37(28-44-41)31-10-5-13-34(22-31)40-24-38(32-11-3-8-29(20-32)35-14-6-18-42-26-35)23-39(25-40)33-12-4-9-30(21-33)36-15-7-19-43-27-36;35-34-13-3-10-28(21-34)33-19-31(26-8-1-6-24(16-26)29-11-4-14-36-22-29)18-32(20-33)27-9-2-7-25(17-27)30-12-5-15-37-23-30;11-9(12)6-1-2-7(10-5-6)8-13-3-4-14-8;9-6-1-2-7(10-5-6)8-11-3-4-12-8;7-5-1-2-6(4-9)8-3-5/h1-17,20-28,42H,18-19H2;2-28H,1H2;1-23H;1-2,5,8,11-12H,3-4H2;1-2,5,8H,3-4H2;1-4H
InChIKeyHTFLMAYHIQBHGE-UHFFFAOYSA-N
MW2323.96 g/mol
LogP32.36
Rot. Bonds23

About 5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-(1,3-dioxolan-2-yl)pyridine;5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-ethenylpyridine;5-bromo-2-(1,3-dioxolan-2-yl)pyridine;3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;5-bromopyridine-2-carbaldehyde;[6-(1,3-dioxolan-2-yl)-3-pyridinyl]boronic acid

5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-(1,3-dioxolan-2-yl)pyridine;5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-ethenylpyridine;5-bromo-2-(1,3-dioxolan-2-yl)pyridine;3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;5-bromopyridine-2-carbaldehyde;[6-(1,3-dioxolan-2-yl)-3-pyridinyl]boronic acid (PubChem CID 158580727) has the molecular formula C139H105BBr3N11O9 and a molecular weight of 2323.96 g/mol. Its IUPAC name is 5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-(1,3-dioxolan-2-yl)pyridine;5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-ethenylpyridine;5-bromo-2-(1,3-dioxolan-2-yl)pyridine;3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;5-bromopyridine-2-carbaldehyde;[6-(1,3-dioxolan-2-yl)-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-(1,3-dioxolan-2-yl)pyridine;5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-ethenylpyridine;5-bromo-2-(1,3-dioxolan-2-yl)pyridine;3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;5-bromopyridine-2-carbaldehyde;[6-(1,3-dioxolan-2-yl)-3-pyridinyl]boronic acid
PubChem CID158580727
Molecular FormulaC139H105BBr3N11O9
Molecular Weight2323.96 g/mol
Exact Mass2319.57
IUPAC Name5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-(1,3-dioxolan-2-yl)pyridine;5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-ethenylpyridine;5-bromo-2-(1,3-dioxolan-2-yl)pyridine;3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;5-bromopyridine-2-carbaldehyde;[6-(1,3-dioxolan-2-yl)-3-pyridinyl]boronic acid
SMILESBrc1ccc(C2OCCO2)nc1.Brc1cccc(-c2cc(-c3cccc(-c4cccnc4)c3)cc(-c3cccc(-c4cccnc4)c3)c2)c1.C=Cc1ccc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)cn1.O=Cc1ccc(Br)cn1.OB(O)c1ccc(C2OCCO2)nc1.c1cncc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5ccc(C6OCCO6)nc5)c4)c3)c2)c1
InChIInChI=1S/C42H31N3O2.C41H29N3.C34H23BrN2.C8H10BNO4.C8H8BrNO2.C6H4BrNO/c1-6-29(35-12-4-16-43-26-35)20-32(9-1)38-23-39(33-10-2-7-30(21-33)36-13-5-17-44-27-36)25-40(24-38)34-11-3-8-31(22-34)37-14-15-41(45-28-37)42-46-18-19-47-42;1-2-41-17-16-37(28-44-41)31-10-5-13-34(22-31)40-24-38(32-11-3-8-29(20-32)35-14-6-18-42-26-35)23-39(25-40)33-12-4-9-30(21-33)36-15-7-19-43-27-36;35-34-13-3-10-28(21-34)33-19-31(26-8-1-6-24(16-26)29-11-4-14-36-22-29)18-32(20-33)27-9-2-7-25(17-27)30-12-5-15-37-23-30;11-9(12)6-1-2-7(10-5-6)8-13-3-4-14-8;9-6-1-2-7(10-5-6)8-11-3-4-12-8;7-5-1-2-6(4-9)8-3-5/h1-17,20-28,42H,18-19H2;2-28H,1H2;1-23H;1-2,5,8,11-12H,3-4H2;1-2,5,8H,3-4H2;1-4H
InChIKeyHTFLMAYHIQBHGE-UHFFFAOYSA-N
XLogP32.36
TPSA254.70 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds23
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002323.96
LogP ≤ 532.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-(1,3-dioxolan-2-yl)pyridine;5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-ethenylpyridine;5-bromo-2-(1,3-dioxolan-2-yl)pyridine;3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;5-bromopyridine-2-carbaldehyde;[6-(1,3-dioxolan-2-yl)-3-pyridinyl]boronic acid with MolForge

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Related Compounds

5-[3-[3,5-Bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-butan-2-ylpyridine;5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-(1,3-dioxolan-2-yl)pyridine;5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-ethenylpyridine;5-bromo-2-(1,3-dioxolan-2-yl)pyridine;3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;5-bromopyridine-2-carbaldehyde;[6-(1,3-dioxolan-2-yl)-3-pyridinyl]boronic acid
CID 158416669
4-Bromobenzaldehyde;1-bromo-4-(2-ethoxyethoxymethyl)benzene;2-[3-[4-(2-ethoxyethoxymethyl)phenyl]benzene-6-id-1-yl]pyridine;bis(iridium(3+));bis(4-(3-pyridin-2-ylbenzene-4-id-1-yl)benzaldehyde);tris(2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]pyridine)
CID 161081135

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-(1,3-dioxolan-2-yl)pyridine;5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-ethenylpyridine;5-bromo-2-(1,3-dioxolan-2-yl)pyridine;3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;5-bromopyridine-2-carbaldehyde;[6-(1,3-dioxolan-2-yl)-3-pyridinyl]boronic acid?
The IUPAC name of 5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-(1,3-dioxolan-2-yl)pyridine;5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-ethenylpyridine;5-bromo-2-(1,3-dioxolan-2-yl)pyridine;3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;5-bromopyridine-2-carbaldehyde;[6-(1,3-dioxolan-2-yl)-3-pyridinyl]boronic acid (CID 158580727) is 5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-(1,3-dioxolan-2-yl)pyridine;5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-ethenylpyridine;5-bromo-2-(1,3-dioxolan-2-yl)pyridine;3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;5-bromopyridine-2-carbaldehyde;[6-(1,3-dioxolan-2-yl)-3-pyridinyl]boronic acid.
What is the SMILES notation for 5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-(1,3-dioxolan-2-yl)pyridine;5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-ethenylpyridine;5-bromo-2-(1,3-dioxolan-2-yl)pyridine;3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;5-bromopyridine-2-carbaldehyde;[6-(1,3-dioxolan-2-yl)-3-pyridinyl]boronic acid?
The canonical SMILES for 5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-(1,3-dioxolan-2-yl)pyridine;5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-ethenylpyridine;5-bromo-2-(1,3-dioxolan-2-yl)pyridine;3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;5-bromopyridine-2-carbaldehyde;[6-(1,3-dioxolan-2-yl)-3-pyridinyl]boronic acid is Brc1ccc(C2OCCO2)nc1.Brc1cccc(-c2cc(-c3cccc(-c4cccnc4)c3)cc(-c3cccc(-c4cccnc4)c3)c2)c1.C=Cc1ccc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)cn1.O=Cc1ccc(Br)cn1.OB(O)c1ccc(C2OCCO2)nc1.c1cncc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5ccc(C6OCCO6)nc5)c4)c3)c2)c1.
What is the InChIKey of 5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-(1,3-dioxolan-2-yl)pyridine;5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-ethenylpyridine;5-bromo-2-(1,3-dioxolan-2-yl)pyridine;3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;5-bromopyridine-2-carbaldehyde;[6-(1,3-dioxolan-2-yl)-3-pyridinyl]boronic acid?
The InChIKey is HTFLMAYHIQBHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31N3O2.C41H29N3.C34H23BrN2.C8H10BNO4.C8H8BrNO2.C6H4BrNO/c1-6-29(35-12-4-16-43-26-35)20-32(9-1)38-23-39(33-10-2-7-30(21-33)36-13-5-17-44-27-36)25-40(24-38)34-11-3-8-31(22-34)37-14-15-41(45-28-37)42-46-18-19-47-42;1-2-41-17-16-37(28-44-41)31-10-5-13-34(22-31)40-24-38(32-11-3-8-29(20-32)35-14-6-18-42-26-35)23-39(25-40)33-12-4-9-30(21-33)36-15-7-19-43-27-36;35-34-13-3-10-28(21-34)33-19-31(26-8-1-6-24(16-26)29-11-4-14-36-22-29)18-32(20-33)27-9-2-7-25(17-27)30-12-5-15-37-23-30;11-9(12)6-1-2-7(10-5-6)8-13-3-4-14-8;9-6-1-2-7(10-5-6)8-11-3-4-12-8;7-5-1-2-6(4-9)8-3-5/h1-17,20-28,42H,18-19H2;2-28H,1H2;1-23H;1-2,5,8,11-12H,3-4H2;1-2,5,8H,3-4H2;1-4H.
What are the key properties of 5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-(1,3-dioxolan-2-yl)pyridine;5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-ethenylpyridine;5-bromo-2-(1,3-dioxolan-2-yl)pyridine;3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;5-bromopyridine-2-carbaldehyde;[6-(1,3-dioxolan-2-yl)-3-pyridinyl]boronic acid?
5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-(1,3-dioxolan-2-yl)pyridine;5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-ethenylpyridine;5-bromo-2-(1,3-dioxolan-2-yl)pyridine;3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;5-bromopyridine-2-carbaldehyde;[6-(1,3-dioxolan-2-yl)-3-pyridinyl]boronic acid has a molecular weight of 2323.96 g/mol, XLogP of 32.36, 23 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-(1,3-dioxolan-2-yl)pyridine;5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-ethenylpyridine;5-bromo-2-(1,3-dioxolan-2-yl)pyridine;3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;5-bromopyridine-2-carbaldehyde;[6-(1,3-dioxolan-2-yl)-3-pyridinyl]boronic acid is sourced from PubChem (CID 158580727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).