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

C164H128B2BrN11O4 — CID 159361020

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

3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-5-[3-[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-3-pyridinyl]-5-(3-pyridin-3-ylphenyl)phenyl]pyridine;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-5-bromopyridine;3-[3-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine;methane (PubChem CID 159361020) has the molecular formula C164H128B2BrN11O4 and a molecular weight of 2418.43 g/mol. Its IUPAC name is 3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-5-[3-[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-3-pyridinyl]-5-(3-pyridin-3-ylphenyl)phenyl]pyridine;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-5-bromopyridine;3-[3-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine;methane.

Molecular Properties

• Compound Name: 3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-5-[3-[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-3-pyridinyl]-5-(3-pyridin-3-ylphenyl)phenyl]pyridine;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-5-bromopyridine;3-[3-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine;methane
• PubChem CID: 159361020
• Molecular Formula: C164H128B2BrN11O4
• Molecular Weight: 2418.43 g/mol
• Exact Mass: 2415.95
• IUPAC Name: 3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-5-[3-[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-3-pyridinyl]-5-(3-pyridin-3-ylphenyl)phenyl]pyridine;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-5-bromopyridine;3-[3-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine;methane
• SMILES: Brc1cncc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)c1.C.CC1(C)OB(c2cc(B3OC(C)(C)C(C)(C)O3)cc(-c3cccc(-c4cccnc4)c3)c2)OC1(C)C.c1cncc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cncc(-c6cc(-c7cccc(-c8cccnc8)c7)cc(-c7cncc(-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
• InChI: InChI=1S/C95H63N7.C39H26BrN3.C29H35B2NO4.CH4/c1-13-64(78-27-8-32-96-55-78)37-69(18-1)83-44-84(70-19-2-14-65(38-70)79-28-9-33-97-56-79)47-87(46-83)74-23-6-25-76(42-74)92-53-94(62-101-60-92)90-50-89(73-22-5-17-68(41-73)82-31-12-36-100-59-82)51-91(52-90)95-54-93(61-102-63-95)77-26-7-24-75(43-77)88-48-85(71-20-3-15-66(39-71)80-29-10-34-98-57-80)45-86(49-88)72-21-4-16-67(40-72)81-30-11-35-99-58-81;40-39-22-38(25-43-26-39)32-11-3-10-31(18-32)37-20-35(29-8-1-6-27(16-29)33-12-4-14-41-23-33)19-36(21-37)30-9-2-7-28(17-30)34-13-5-15-42-24-34;1-26(2)27(3,4)34-30(33-26)24-16-23(17-25(18-24)31-35-28(5,6)29(7,8)36-31)21-12-9-11-20(15-21)22-13-10-14-32-19-22;/h1-63H;1-26H;9-19H,1-8H3;1H4
• InChIKey: LINRKHJLBJIQQT-UHFFFAOYSA-N
• XLogP: 40.41
• TPSA: 178.71 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 26
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2418.43
LogP ≤ 5	40.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-5-[3-[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-3-pyridinyl]-5-(3-pyridin-3-ylphenyl)phenyl]pyridine;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-5-bromopyridine;3-[3-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine;methane?

The IUPAC name of 3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-5-[3-[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-3-pyridinyl]-5-(3-pyridin-3-ylphenyl)phenyl]pyridine;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-5-bromopyridine;3-[3-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine;methane (CID 159361020) is 3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-5-[3-[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-3-pyridinyl]-5-(3-pyridin-3-ylphenyl)phenyl]pyridine;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-5-bromopyridine;3-[3-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine;methane.

What is the SMILES notation for 3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-5-[3-[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-3-pyridinyl]-5-(3-pyridin-3-ylphenyl)phenyl]pyridine;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-5-bromopyridine;3-[3-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine;methane?

The canonical SMILES for 3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-5-[3-[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-3-pyridinyl]-5-(3-pyridin-3-ylphenyl)phenyl]pyridine;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-5-bromopyridine;3-[3-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine;methane is Brc1cncc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)c1.C.CC1(C)OB(c2cc(B3OC(C)(C)C(C)(C)O3)cc(-c3cccc(-c4cccnc4)c3)c2)OC1(C)C.c1cncc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cncc(-c6cc(-c7cccc(-c8cccnc8)c7)cc(-c7cncc(-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-pyridin-3-ylphenyl)phenyl]phenyl]-5-[3-[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-3-pyridinyl]-5-(3-pyridin-3-ylphenyl)phenyl]pyridine;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-5-bromopyridine;3-[3-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine;methane?

The InChIKey is LINRKHJLBJIQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C95H63N7.C39H26BrN3.C29H35B2NO4.CH4/c1-13-64(78-27-8-32-96-55-78)37-69(18-1)83-44-84(70-19-2-14-65(38-70)79-28-9-33-97-56-79)47-87(46-83)74-23-6-25-76(42-74)92-53-94(62-101-60-92)90-50-89(73-22-5-17-68(41-73)82-31-12-36-100-59-82)51-91(52-90)95-54-93(61-102-63-95)77-26-7-24-75(43-77)88-48-85(71-20-3-15-66(39-71)80-29-10-34-98-57-80)45-86(49-88)72-21-4-16-67(40-72)81-30-11-35-99-58-81;40-39-22-38(25-43-26-39)32-11-3-10-31(18-32)37-20-35(29-8-1-6-27(16-29)33-12-4-14-41-23-33)19-36(21-37)30-9-2-7-28(17-30)34-13-5-15-42-24-34;1-26(2)27(3,4)34-30(33-26)24-16-23(17-25(18-24)31-35-28(5,6)29(7,8)36-31)21-12-9-11-20(15-21)22-13-10-14-32-19-22;/h1-63H;1-26H;9-19H,1-8H3;1H4.

What are the key properties of 3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-5-[3-[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-3-pyridinyl]-5-(3-pyridin-3-ylphenyl)phenyl]pyridine;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-5-bromopyridine;3-[3-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine;methane?

3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-5-[3-[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-3-pyridinyl]-5-(3-pyridin-3-ylphenyl)phenyl]pyridine;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-5-bromopyridine;3-[3-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine;methane has a molecular weight of 2418.43 g/mol, XLogP of 40.41, 26 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-5-[3-[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-3-pyridinyl]-5-(3-pyridin-3-ylphenyl)phenyl]pyridine;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-5-bromopyridine;3-[3-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine;methane is sourced from PubChem (CID 159361020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).