3-[3-[3,5-bis[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]pyridine;3-[3-[3,5-bis(3-bromophenyl)phenyl]phenyl]pyridine;[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]boronic acid

C160H109BBr2N8O2 — CID 161269242

IUPAC3-[3-[3,5-bis[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]pyridine;3-[3-[3,5-bis(3-bromophenyl)phenyl]phenyl]pyridine;[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]boronic acid
SMILESBrc1cccc(-c2cc(-c3cccc(Br)c3)cc(-c3cccc(-c4cccnc4)c3)c2)c1.OB(O)c1cccc(-c2cc(-c3cccc(-c4cccnc4)c3)cc(-c3cccc(-c4cccnc4)c3)c2)c1.c1cncc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cccc(-c6cc(-c7cccc(-c8cccnc8)c7)cc(-c7cccc(-c8cccc(-c9cc(-c%10cccc(-c%11cccnc%11)c%10)cc(-c%10cccc(-c%11cccnc%11)c%10)c9)c8)c7)c6)c5)c4)c3)c2)c1
InChIInChI=1S/C97H65N5.C34H25BN2O2.C29H19Br2N/c1-15-66(68-17-3-26-77(45-68)91-55-94(80-29-6-20-71(48-80)85-34-11-39-99-62-85)59-95(56-91)81-30-7-21-72(49-81)86-35-12-40-100-63-86)43-75(24-1)89-52-90(54-93(53-89)79-28-5-19-70(47-79)84-33-10-38-98-61-84)76-25-2-16-67(44-76)69-18-4-27-78(46-69)92-57-96(82-31-8-22-73(50-82)87-36-13-41-101-64-87)60-97(58-92)83-32-9-23-74(51-83)88-37-14-42-102-65-88;38-35(39)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;30-28-10-2-7-22(17-28)26-14-25(15-27(16-26)23-8-3-11-29(31)18-23)21-6-1-5-20(13-21)24-9-4-12-32-19-24/h1-65H;1-23,38-39H;1-19H
InChIKeyVDPBJLLBMMNRCZ-UHFFFAOYSA-N
MW2346.31 g/mol
LogP41.10
Rot. Bonds26

About 3-[3-[3,5-bis[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]pyridine;3-[3-[3,5-bis(3-bromophenyl)phenyl]phenyl]pyridine;[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]boronic acid

3-[3-[3,5-bis[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]pyridine;3-[3-[3,5-bis(3-bromophenyl)phenyl]phenyl]pyridine;[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]boronic acid (PubChem CID 161269242) has the molecular formula C160H109BBr2N8O2 and a molecular weight of 2346.31 g/mol. Its IUPAC name is 3-[3-[3,5-bis[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]pyridine;3-[3-[3,5-bis(3-bromophenyl)phenyl]phenyl]pyridine;[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]boronic acid.

Molecular Properties

Compound Name3-[3-[3,5-bis[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]pyridine;3-[3-[3,5-bis(3-bromophenyl)phenyl]phenyl]pyridine;[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]boronic acid
PubChem CID161269242
Molecular FormulaC160H109BBr2N8O2
Molecular Weight2346.31 g/mol
Exact Mass2342.71
IUPAC Name3-[3-[3,5-bis[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]pyridine;3-[3-[3,5-bis(3-bromophenyl)phenyl]phenyl]pyridine;[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]boronic acid
SMILESBrc1cccc(-c2cc(-c3cccc(Br)c3)cc(-c3cccc(-c4cccnc4)c3)c2)c1.OB(O)c1cccc(-c2cc(-c3cccc(-c4cccnc4)c3)cc(-c3cccc(-c4cccnc4)c3)c2)c1.c1cncc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cccc(-c6cc(-c7cccc(-c8cccnc8)c7)cc(-c7cccc(-c8cccc(-c9cc(-c%10cccc(-c%11cccnc%11)c%10)cc(-c%10cccc(-c%11cccnc%11)c%10)c9)c8)c7)c6)c5)c4)c3)c2)c1
InChIInChI=1S/C97H65N5.C34H25BN2O2.C29H19Br2N/c1-15-66(68-17-3-26-77(45-68)91-55-94(80-29-6-20-71(48-80)85-34-11-39-99-62-85)59-95(56-91)81-30-7-21-72(49-81)86-35-12-40-100-63-86)43-75(24-1)89-52-90(54-93(53-89)79-28-5-19-70(47-79)84-33-10-38-98-61-84)76-25-2-16-67(44-76)69-18-4-27-78(46-69)92-57-96(82-31-8-22-73(50-82)87-36-13-41-101-64-87)60-97(58-92)83-32-9-23-74(51-83)88-37-14-42-102-65-88;38-35(39)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;30-28-10-2-7-22(17-28)26-14-25(15-27(16-26)23-8-3-11-29(31)18-23)21-6-1-5-20(13-21)24-9-4-12-32-19-24/h1-65H;1-23,38-39H;1-19H
InChIKeyVDPBJLLBMMNRCZ-UHFFFAOYSA-N
XLogP41.10
TPSA143.58 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds26
Heavy Atoms173
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002346.31
LogP ≤ 541.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 3-[3-[3,5-bis[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]pyridine;3-[3-[3,5-bis(3-bromophenyl)phenyl]phenyl]pyridine;[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]boronic acid with MolForge

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Related Compounds

4,4'-(3',4',5',6'-Tetrakis(4-(pyridin-4-yl)phenyl)-[1,1':2',1''-terphenyl]-4,4''-diyl)dipyridine
CID 57628254
1,3,5-Tris(6-(3-(pyridin-3-yl)phenyl)pyridin-2-yl)benzene
CID 102128661
(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
3-[3-[3-[3-[5-[3-[3,5-Bis[3-[5-(trifluoromethyl)-3-pyridinyl]phenyl]phenyl]phenyl]-3-pyridinyl]phenyl]-5-[3-(5-methyl-3-pyridinyl)phenyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine;3,5-dibromopyridine;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
CID 160226544
CID 168336126
CID 168336126
1-[[3,5-Bis[[4-[1-[[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]-4-[1-[[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium
CID 46871631
1-[[3,5-Bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]-4-[1-[[3-[[4-[4-[[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]phenyl]pyridin-1-ium-1-yl]methyl]-5-[[4-[1-[[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium
CID 46889634
1-[[3,5-Bis[[4-[1-[[3,5-bis[[4-[1-[[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]-4-[1-[[3,5-bis[[4-[1-[[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium
CID 71450128
5-[2-[3,5-Bis[2-[6-(3-bromo-4-fluorophenyl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(3-bromo-4-fluorophenyl)pyridine
CID 140838547
Tris(2-(3-bromophenyl)pyridine);iridium(3+)
CID 17836206
Tris(2-(3-bromophenyl)pyridine);gold(3+);2-phenylpyridine
CID 17836220
3-[3-[3-(3-Bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 52915578

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3,5-bis[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]pyridine;3-[3-[3,5-bis(3-bromophenyl)phenyl]phenyl]pyridine;[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]boronic acid?
The IUPAC name of 3-[3-[3,5-bis[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]pyridine;3-[3-[3,5-bis(3-bromophenyl)phenyl]phenyl]pyridine;[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]boronic acid (CID 161269242) is 3-[3-[3,5-bis[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]pyridine;3-[3-[3,5-bis(3-bromophenyl)phenyl]phenyl]pyridine;[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]boronic acid.
What is the SMILES notation for 3-[3-[3,5-bis[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]pyridine;3-[3-[3,5-bis(3-bromophenyl)phenyl]phenyl]pyridine;[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]boronic acid?
The canonical SMILES for 3-[3-[3,5-bis[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]pyridine;3-[3-[3,5-bis(3-bromophenyl)phenyl]phenyl]pyridine;[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]boronic acid is Brc1cccc(-c2cc(-c3cccc(Br)c3)cc(-c3cccc(-c4cccnc4)c3)c2)c1.OB(O)c1cccc(-c2cc(-c3cccc(-c4cccnc4)c3)cc(-c3cccc(-c4cccnc4)c3)c2)c1.c1cncc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cccc(-c6cc(-c7cccc(-c8cccnc8)c7)cc(-c7cccc(-c8cccc(-c9cc(-c%10cccc(-c%11cccnc%11)c%10)cc(-c%10cccc(-c%11cccnc%11)c%10)c9)c8)c7)c6)c5)c4)c3)c2)c1.
What is the InChIKey of 3-[3-[3,5-bis[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]pyridine;3-[3-[3,5-bis(3-bromophenyl)phenyl]phenyl]pyridine;[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]boronic acid?
The InChIKey is VDPBJLLBMMNRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H65N5.C34H25BN2O2.C29H19Br2N/c1-15-66(68-17-3-26-77(45-68)91-55-94(80-29-6-20-71(48-80)85-34-11-39-99-62-85)59-95(56-91)81-30-7-21-72(49-81)86-35-12-40-100-63-86)43-75(24-1)89-52-90(54-93(53-89)79-28-5-19-70(47-79)84-33-10-38-98-61-84)76-25-2-16-67(44-76)69-18-4-27-78(46-69)92-57-96(82-31-8-22-73(50-82)87-36-13-41-101-64-87)60-97(58-92)83-32-9-23-74(51-83)88-37-14-42-102-65-88;38-35(39)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;30-28-10-2-7-22(17-28)26-14-25(15-27(16-26)23-8-3-11-29(31)18-23)21-6-1-5-20(13-21)24-9-4-12-32-19-24/h1-65H;1-23,38-39H;1-19H.
What are the key properties of 3-[3-[3,5-bis[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]pyridine;3-[3-[3,5-bis(3-bromophenyl)phenyl]phenyl]pyridine;[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]boronic acid?
3-[3-[3,5-bis[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]pyridine;3-[3-[3,5-bis(3-bromophenyl)phenyl]phenyl]pyridine;[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]boronic acid has a molecular weight of 2346.31 g/mol, XLogP of 41.10, 26 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3,5-bis[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]pyridine;3-[3-[3,5-bis(3-bromophenyl)phenyl]phenyl]pyridine;[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]boronic acid is sourced from PubChem (CID 161269242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).