2-(4-bromophenyl)pyridine;2,7-dibromo-9,9-dioctylfluorene;2-[4-[9,9-dioctyl-7-(4-pyridin-2-ylbenzene-5-id-1-yl)fluoren-2-yl]benzene-6-id-1-yl]pyridine;2-[4-[9,9-dioctyl-7-(4-pyridin-2-ylphenyl)fluoren-2-yl]phenyl]pyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(iridium);methane

C185H230B2Br3Ir2N5O4-2 — CID 158325223

About 2-(4-bromophenyl)pyridine;2,7-dibromo-9,9-dioctylfluorene;2-[4-[9,9-dioctyl-7-(4-pyridin-2-ylbenzene-5-id-1-yl)fluoren-2-yl]benzene-6-id-1-yl]pyridine;2-[4-[9,9-dioctyl-7-(4-pyridin-2-ylphenyl)fluoren-2-yl]phenyl]pyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(iridium);methane

2-(4-bromophenyl)pyridine;2,7-dibromo-9,9-dioctylfluorene;2-[4-[9,9-dioctyl-7-(4-pyridin-2-ylbenzene-5-id-1-yl)fluoren-2-yl]benzene-6-id-1-yl]pyridine;2-[4-[9,9-dioctyl-7-(4-pyridin-2-ylphenyl)fluoren-2-yl]phenyl]pyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(iridium);methane (PubChem CID 158325223) has the molecular formula C185H230B2Br3Ir2N5O4-2 and a molecular weight of 3233.68 g/mol. Its IUPAC name is 2-(4-bromophenyl)pyridine;2,7-dibromo-9,9-dioctylfluorene;2-[4-[9,9-dioctyl-7-(4-pyridin-2-ylbenzene-5-id-1-yl)fluoren-2-yl]benzene-6-id-1-yl]pyridine;2-[4-[9,9-dioctyl-7-(4-pyridin-2-ylphenyl)fluoren-2-yl]phenyl]pyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(iridium);methane.

Molecular Properties

• Compound Name: 2-(4-bromophenyl)pyridine;2,7-dibromo-9,9-dioctylfluorene;2-[4-[9,9-dioctyl-7-(4-pyridin-2-ylbenzene-5-id-1-yl)fluoren-2-yl]benzene-6-id-1-yl]pyridine;2-[4-[9,9-dioctyl-7-(4-pyridin-2-ylphenyl)fluoren-2-yl]phenyl]pyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(iridium);methane
• PubChem CID: 158325223
• Molecular Formula: C185H230B2Br3Ir2N5O4-2
• Molecular Weight: 3233.68 g/mol
• Exact Mass: 3230.50
• IUPAC Name: 2-(4-bromophenyl)pyridine;2,7-dibromo-9,9-dioctylfluorene;2-[4-[9,9-dioctyl-7-(4-pyridin-2-ylbenzene-5-id-1-yl)fluoren-2-yl]benzene-6-id-1-yl]pyridine;2-[4-[9,9-dioctyl-7-(4-pyridin-2-ylphenyl)fluoren-2-yl]phenyl]pyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(iridium);methane
• SMILES: Brc1ccc(-c2ccccn2)cc1.C.C.CCCCCCCCC1(CCCCCCCC)c2cc(-c3c[c-]c(-c4ccccn4)cc3)ccc2-c2ccc(-c3c[c-]c(-c4ccccn4)cc3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(-c4ccccn4)cc3)ccc2-c2ccc(-c3ccc(-c4ccccn4)cc3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2-c2ccc(Br)cc21.[Ir].[Ir]
• InChI: InChI=1S/C51H56N2.C51H54N2.C41H64B2O4.C29H40Br2.C11H8BrN.2CH4.2Ir/c2*1-3-5-7-9-11-15-33-51(34-16-12-10-8-6-4-2)47-37-43(39-21-25-41(26-22-39)49-19-13-17-35-52-49)29-31-45(47)46-32-30-44(38-48(46)51)40-23-27-42(28-24-40)50-20-14-18-36-53-50;1-11-13-15-17-19-21-27-41(28-22-20-18-16-14-12-2)35-29-31(42-44-37(3,4)38(5,6)45-42)23-25-33(35)34-26-24-32(30-36(34)41)43-46-39(7,8)40(9,10)47-43;1-3-5-7-9-11-13-19-29(20-14-12-10-8-6-4-2)27-21-23(30)15-17-25(27)26-18-16-24(31)22-28(26)29;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;;;;/h13-14,17-32,35-38H,3-12,15-16,33-34H2,1-2H3;13-14,17-25,27,29-32,35-38H,3-12,15-16,33-34H2,1-2H3;23-26,29-30H,11-22,27-28H2,1-10H3;15-18,21-22H,3-14,19-20H2,1-2H3;1-8H;2*1H4;;/q;-2
• InChIKey: BTSRUSMCPSFQAJ-UHFFFAOYSA-N
• XLogP: 55.24
• TPSA: 101.37 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 67
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3233.68
LogP ≤ 5	55.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)pyridine;2,7-dibromo-9,9-dioctylfluorene;2-[4-[9,9-dioctyl-7-(4-pyridin-2-ylbenzene-5-id-1-yl)fluoren-2-yl]benzene-6-id-1-yl]pyridine;2-[4-[9,9-dioctyl-7-(4-pyridin-2-ylphenyl)fluoren-2-yl]phenyl]pyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(iridium);methane?

The IUPAC name of 2-(4-bromophenyl)pyridine;2,7-dibromo-9,9-dioctylfluorene;2-[4-[9,9-dioctyl-7-(4-pyridin-2-ylbenzene-5-id-1-yl)fluoren-2-yl]benzene-6-id-1-yl]pyridine;2-[4-[9,9-dioctyl-7-(4-pyridin-2-ylphenyl)fluoren-2-yl]phenyl]pyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(iridium);methane (CID 158325223) is 2-(4-bromophenyl)pyridine;2,7-dibromo-9,9-dioctylfluorene;2-[4-[9,9-dioctyl-7-(4-pyridin-2-ylbenzene-5-id-1-yl)fluoren-2-yl]benzene-6-id-1-yl]pyridine;2-[4-[9,9-dioctyl-7-(4-pyridin-2-ylphenyl)fluoren-2-yl]phenyl]pyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(iridium);methane.

What is the SMILES notation for 2-(4-bromophenyl)pyridine;2,7-dibromo-9,9-dioctylfluorene;2-[4-[9,9-dioctyl-7-(4-pyridin-2-ylbenzene-5-id-1-yl)fluoren-2-yl]benzene-6-id-1-yl]pyridine;2-[4-[9,9-dioctyl-7-(4-pyridin-2-ylphenyl)fluoren-2-yl]phenyl]pyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(iridium);methane?

The canonical SMILES for 2-(4-bromophenyl)pyridine;2,7-dibromo-9,9-dioctylfluorene;2-[4-[9,9-dioctyl-7-(4-pyridin-2-ylbenzene-5-id-1-yl)fluoren-2-yl]benzene-6-id-1-yl]pyridine;2-[4-[9,9-dioctyl-7-(4-pyridin-2-ylphenyl)fluoren-2-yl]phenyl]pyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(iridium);methane is Brc1ccc(-c2ccccn2)cc1.C.C.CCCCCCCCC1(CCCCCCCC)c2cc(-c3c[c-]c(-c4ccccn4)cc3)ccc2-c2ccc(-c3c[c-]c(-c4ccccn4)cc3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(-c4ccccn4)cc3)ccc2-c2ccc(-c3ccc(-c4ccccn4)cc3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2-c2ccc(Br)cc21.[Ir].[Ir].

What is the InChIKey of 2-(4-bromophenyl)pyridine;2,7-dibromo-9,9-dioctylfluorene;2-[4-[9,9-dioctyl-7-(4-pyridin-2-ylbenzene-5-id-1-yl)fluoren-2-yl]benzene-6-id-1-yl]pyridine;2-[4-[9,9-dioctyl-7-(4-pyridin-2-ylphenyl)fluoren-2-yl]phenyl]pyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(iridium);methane?

The InChIKey is BTSRUSMCPSFQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H56N2.C51H54N2.C41H64B2O4.C29H40Br2.C11H8BrN.2CH4.2Ir/c2*1-3-5-7-9-11-15-33-51(34-16-12-10-8-6-4-2)47-37-43(39-21-25-41(26-22-39)49-19-13-17-35-52-49)29-31-45(47)46-32-30-44(38-48(46)51)40-23-27-42(28-24-40)50-20-14-18-36-53-50;1-11-13-15-17-19-21-27-41(28-22-20-18-16-14-12-2)35-29-31(42-44-37(3,4)38(5,6)45-42)23-25-33(35)34-26-24-32(30-36(34)41)43-46-39(7,8)40(9,10)47-43;1-3-5-7-9-11-13-19-29(20-14-12-10-8-6-4-2)27-21-23(30)15-17-25(27)26-18-16-24(31)22-28(26)29;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;;;;/h13-14,17-32,35-38H,3-12,15-16,33-34H2,1-2H3;13-14,17-25,27,29-32,35-38H,3-12,15-16,33-34H2,1-2H3;23-26,29-30H,11-22,27-28H2,1-10H3;15-18,21-22H,3-14,19-20H2,1-2H3;1-8H;2*1H4;;/q;-2;;;;;;;.

What are the key properties of 2-(4-bromophenyl)pyridine;2,7-dibromo-9,9-dioctylfluorene;2-[4-[9,9-dioctyl-7-(4-pyridin-2-ylbenzene-5-id-1-yl)fluoren-2-yl]benzene-6-id-1-yl]pyridine;2-[4-[9,9-dioctyl-7-(4-pyridin-2-ylphenyl)fluoren-2-yl]phenyl]pyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(iridium);methane?

2-(4-bromophenyl)pyridine;2,7-dibromo-9,9-dioctylfluorene;2-[4-[9,9-dioctyl-7-(4-pyridin-2-ylbenzene-5-id-1-yl)fluoren-2-yl]benzene-6-id-1-yl]pyridine;2-[4-[9,9-dioctyl-7-(4-pyridin-2-ylphenyl)fluoren-2-yl]phenyl]pyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(iridium);methane has a molecular weight of 3233.68 g/mol, XLogP of 55.24, 67 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromophenyl)pyridine;2,7-dibromo-9,9-dioctylfluorene;2-[4-[9,9-dioctyl-7-(4-pyridin-2-ylbenzene-5-id-1-yl)fluoren-2-yl]benzene-6-id-1-yl]pyridine;2-[4-[9,9-dioctyl-7-(4-pyridin-2-ylphenyl)fluoren-2-yl]phenyl]pyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(iridium);methane is sourced from PubChem (CID 158325223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).