3,5-bis[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;3-[3-[3-(3-chlorophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;methane;3-[3-[3-(3-pyridin-3-ylphenyl)-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]pyridine

C148H111BClN9O2 — CID 158713800

IUPAC3,5-bis[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;3-[3-[3-(3-chlorophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;methane;3-[3-[3-(3-pyridin-3-ylphenyl)-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]pyridine
SMILESC.CC1(C)OB(c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)OC1(C)C.Clc1cccc(-c2cc(-c3cccc(-c4cccnc4)c3)cc(-c3cccc(-c4cccnc4)c3)c2)c1.c1cncc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cncc(-c6cccc(-c7cc(-c8cccc(-c9cccnc9)c8)cc(-c8cccc(-c9cccnc9)c8)c7)c6)c5)c4)c3)c2)c1
InChIInChI=1S/C73H49N5.C40H35BN2O2.C34H23ClN2.CH4/c1-11-50(62-23-7-27-74-44-62)31-54(15-1)66-37-67(55-16-2-12-51(32-55)63-24-8-28-75-45-63)40-70(39-66)58-19-5-21-60(35-58)72-43-73(49-78-48-72)61-22-6-20-59(36-61)71-41-68(56-17-3-13-52(33-56)64-25-9-29-76-46-64)38-69(42-71)57-18-4-14-53(34-57)65-26-10-30-77-47-65;1-39(2)40(3,4)45-41(44-39)38-17-7-14-32(25-38)37-23-35(30-12-5-10-28(20-30)33-15-8-18-42-26-33)22-36(24-37)31-13-6-11-29(21-31)34-16-9-19-43-27-34;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;/h1-49H;5-27H,1-4H3;1-23H;1H4
InChIKeyIJBBSCBJUPJTSF-UHFFFAOYSA-N
MW2093.84 g/mol
LogP37.88
Rot. Bonds23

About 3,5-bis[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;3-[3-[3-(3-chlorophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;methane;3-[3-[3-(3-pyridin-3-ylphenyl)-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]pyridine

3,5-bis[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;3-[3-[3-(3-chlorophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;methane;3-[3-[3-(3-pyridin-3-ylphenyl)-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]pyridine (PubChem CID 158713800) has the molecular formula C148H111BClN9O2 and a molecular weight of 2093.84 g/mol. Its IUPAC name is 3,5-bis[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;3-[3-[3-(3-chlorophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;methane;3-[3-[3-(3-pyridin-3-ylphenyl)-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]pyridine.

Molecular Properties

Compound Name3,5-bis[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;3-[3-[3-(3-chlorophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;methane;3-[3-[3-(3-pyridin-3-ylphenyl)-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]pyridine
PubChem CID158713800
Molecular FormulaC148H111BClN9O2
Molecular Weight2093.84 g/mol
Exact Mass2091.86
IUPAC Name3,5-bis[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;3-[3-[3-(3-chlorophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;methane;3-[3-[3-(3-pyridin-3-ylphenyl)-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]pyridine
SMILESC.CC1(C)OB(c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)OC1(C)C.Clc1cccc(-c2cc(-c3cccc(-c4cccnc4)c3)cc(-c3cccc(-c4cccnc4)c3)c2)c1.c1cncc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cncc(-c6cccc(-c7cc(-c8cccc(-c9cccnc9)c8)cc(-c8cccc(-c9cccnc9)c8)c7)c6)c5)c4)c3)c2)c1
InChIInChI=1S/C73H49N5.C40H35BN2O2.C34H23ClN2.CH4/c1-11-50(62-23-7-27-74-44-62)31-54(15-1)66-37-67(55-16-2-12-51(32-55)63-24-8-28-75-45-63)40-70(39-66)58-19-5-21-60(35-58)72-43-73(49-78-48-72)61-22-6-20-59(36-61)71-41-68(56-17-3-13-52(33-56)64-25-9-29-76-46-64)38-69(42-71)57-18-4-14-53(34-57)65-26-10-30-77-47-65;1-39(2)40(3,4)45-41(44-39)38-17-7-14-32(25-38)37-23-35(30-12-5-10-28(20-30)33-15-8-18-42-26-33)22-36(24-37)31-13-6-11-29(21-31)34-16-9-19-43-27-34;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;/h1-49H;5-27H,1-4H3;1-23H;1H4
InChIKeyIJBBSCBJUPJTSF-UHFFFAOYSA-N
XLogP37.88
TPSA134.47 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds23
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002093.84
LogP ≤ 537.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 3,5-bis[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;3-[3-[3-(3-chlorophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;methane;3-[3-[3-(3-pyridin-3-ylphenyl)-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;3-[3-[3-(3-chlorophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;methane;3-[3-[3-(3-pyridin-3-ylphenyl)-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]pyridine?
The IUPAC name of 3,5-bis[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;3-[3-[3-(3-chlorophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;methane;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 158713800) is 3,5-bis[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;3-[3-[3-(3-chlorophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;methane;3-[3-[3-(3-pyridin-3-ylphenyl)-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]pyridine.
What is the SMILES notation for 3,5-bis[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;3-[3-[3-(3-chlorophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;methane;3-[3-[3-(3-pyridin-3-ylphenyl)-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]pyridine?
The canonical SMILES for 3,5-bis[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;3-[3-[3-(3-chlorophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;methane;3-[3-[3-(3-pyridin-3-ylphenyl)-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]pyridine is C.CC1(C)OB(c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)OC1(C)C.Clc1cccc(-c2cc(-c3cccc(-c4cccnc4)c3)cc(-c3cccc(-c4cccnc4)c3)c2)c1.c1cncc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cncc(-c6cccc(-c7cc(-c8cccc(-c9cccnc9)c8)cc(-c8cccc(-c9cccnc9)c8)c7)c6)c5)c4)c3)c2)c1.
What is the InChIKey of 3,5-bis[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;3-[3-[3-(3-chlorophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;methane;3-[3-[3-(3-pyridin-3-ylphenyl)-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]pyridine?
The InChIKey is IJBBSCBJUPJTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H49N5.C40H35BN2O2.C34H23ClN2.CH4/c1-11-50(62-23-7-27-74-44-62)31-54(15-1)66-37-67(55-16-2-12-51(32-55)63-24-8-28-75-45-63)40-70(39-66)58-19-5-21-60(35-58)72-43-73(49-78-48-72)61-22-6-20-59(36-61)71-41-68(56-17-3-13-52(33-56)64-25-9-29-76-46-64)38-69(42-71)57-18-4-14-53(34-57)65-26-10-30-77-47-65;1-39(2)40(3,4)45-41(44-39)38-17-7-14-32(25-38)37-23-35(30-12-5-10-28(20-30)33-15-8-18-42-26-33)22-36(24-37)31-13-6-11-29(21-31)34-16-9-19-43-27-34;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;/h1-49H;5-27H,1-4H3;1-23H;1H4.
What are the key properties of 3,5-bis[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;3-[3-[3-(3-chlorophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;methane;3-[3-[3-(3-pyridin-3-ylphenyl)-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]pyridine?
3,5-bis[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;3-[3-[3-(3-chlorophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;methane;3-[3-[3-(3-pyridin-3-ylphenyl)-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]pyridine has a molecular weight of 2093.84 g/mol, XLogP of 37.88, 23 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;3-[3-[3-(3-chlorophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;methane;3-[3-[3-(3-pyridin-3-ylphenyl)-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]pyridine is sourced from PubChem (CID 158713800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).