bis(2-(3-bromobenzene-6-id-1-yl)pyridine);bis(4-ethenyl-N-phenyl-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline);tris(iridium(3+));tris(2-phenylpyridine);bis(4-(N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]anilino)benzaldehyde);4-(N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anilino)benzaldehyde

C202H152BBr2Ir3N14O5 — CID 158881954

About bis(2-(3-bromobenzene-6-id-1-yl)pyridine);bis(4-ethenyl-N-phenyl-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline);tris(iridium(3+));tris(2-phenylpyridine);bis(4-(N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]anilino)benzaldehyde);4-(N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anilino)benzaldehyde

bis(2-(3-bromobenzene-6-id-1-yl)pyridine);bis(4-ethenyl-N-phenyl-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline);tris(iridium(3+));tris(2-phenylpyridine);bis(4-(N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]anilino)benzaldehyde);4-(N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anilino)benzaldehyde (PubChem CID 158881954) has the molecular formula C202H152BBr2Ir3N14O5 and a molecular weight of 3602.80 g/mol. Its IUPAC name is bis(2-(3-bromobenzene-6-id-1-yl)pyridine);bis(4-ethenyl-N-phenyl-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline);tris(iridium(3+));tris(2-phenylpyridine);bis(4-(N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]anilino)benzaldehyde);4-(N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anilino)benzaldehyde.

Molecular Properties

• Compound Name: bis(2-(3-bromobenzene-6-id-1-yl)pyridine);bis(4-ethenyl-N-phenyl-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline);tris(iridium(3+));tris(2-phenylpyridine);bis(4-(N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]anilino)benzaldehyde);4-(N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anilino)benzaldehyde
• PubChem CID: 158881954
• Molecular Formula: C202H152BBr2Ir3N14O5
• Molecular Weight: 3602.80 g/mol
• Exact Mass: 3600.94
• IUPAC Name: bis(2-(3-bromobenzene-6-id-1-yl)pyridine);bis(4-ethenyl-N-phenyl-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline);tris(iridium(3+));tris(2-phenylpyridine);bis(4-(N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]anilino)benzaldehyde);4-(N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anilino)benzaldehyde
• SMILES: Brc1cc[c-]c(-c2ccccn2)c1.Brc1cc[c-]c(-c2ccccn2)c1.C=Cc1ccc(N(c2ccccc2)c2ccc(-c3cc[c-]c(-c4ccccn4)c3)cc2)cc1.C=Cc1ccc(N(c2ccccc2)c2ccc(-c3cc[c-]c(-c4ccccn4)c3)cc2)cc1.CC1(C)OB(c2ccc(N(c3ccccc3)c3ccc(C=O)cc3)cc2)OC1(C)C.O=Cc1ccc(N(c2ccccc2)c2ccc(-c3cc[c-]c(-c4ccccn4)c3)cc2)cc1.O=Cc1ccc(N(c2ccccc2)c2ccc(-c3cc[c-]c(-c4ccccn4)c3)cc2)cc1.[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/2C31H23N2.2C30H21N2O.C25H26BNO3.2C11H7BrN.3C11H8N.3Ir/c2*1-2-24-14-18-29(19-15-24)33(28-11-4-3-5-12-28)30-20-16-25(17-21-30)26-9-8-10-27(23-26)31-13-6-7-22-32-31;2*33-22-23-12-16-28(17-13-23)32(27-9-2-1-3-10-27)29-18-14-24(15-19-29)25-7-6-8-26(21-25)30-11-4-5-20-31-30;1-24(2)25(3,4)30-26(29-24)20-12-16-23(17-13-20)27(21-8-6-5-7-9-21)22-14-10-19(18-28)11-15-22;2*12-10-5-3-4-9(8-10)11-6-1-2-7-13-11;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h2*2-9,11-23H,1H2;2*1-7,9-22H;5-18H,1-4H3;2*1-3,5-8H;3*1-6,8-9H;;;/q4*-1;;5*-1;3*+3
• InChIKey: CCJBCGRISADNHV-UHFFFAOYSA-N
• XLogP: 51.18
• TPSA: 201.88 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 34
• Heavy Atoms: 227
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3602.80
LogP ≤ 5	51.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', '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 bis(2-(3-bromobenzene-6-id-1-yl)pyridine);bis(4-ethenyl-N-phenyl-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline);tris(iridium(3+));tris(2-phenylpyridine);bis(4-(N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]anilino)benzaldehyde);4-(N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anilino)benzaldehyde?

The IUPAC name of bis(2-(3-bromobenzene-6-id-1-yl)pyridine);bis(4-ethenyl-N-phenyl-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline);tris(iridium(3+));tris(2-phenylpyridine);bis(4-(N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]anilino)benzaldehyde);4-(N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anilino)benzaldehyde (CID 158881954) is bis(2-(3-bromobenzene-6-id-1-yl)pyridine);bis(4-ethenyl-N-phenyl-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline);tris(iridium(3+));tris(2-phenylpyridine);bis(4-(N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]anilino)benzaldehyde);4-(N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anilino)benzaldehyde.

What is the SMILES notation for bis(2-(3-bromobenzene-6-id-1-yl)pyridine);bis(4-ethenyl-N-phenyl-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline);tris(iridium(3+));tris(2-phenylpyridine);bis(4-(N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]anilino)benzaldehyde);4-(N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anilino)benzaldehyde?

The canonical SMILES for bis(2-(3-bromobenzene-6-id-1-yl)pyridine);bis(4-ethenyl-N-phenyl-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline);tris(iridium(3+));tris(2-phenylpyridine);bis(4-(N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]anilino)benzaldehyde);4-(N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anilino)benzaldehyde is Brc1cc[c-]c(-c2ccccn2)c1.Brc1cc[c-]c(-c2ccccn2)c1.C=Cc1ccc(N(c2ccccc2)c2ccc(-c3cc[c-]c(-c4ccccn4)c3)cc2)cc1.C=Cc1ccc(N(c2ccccc2)c2ccc(-c3cc[c-]c(-c4ccccn4)c3)cc2)cc1.CC1(C)OB(c2ccc(N(c3ccccc3)c3ccc(C=O)cc3)cc2)OC1(C)C.O=Cc1ccc(N(c2ccccc2)c2ccc(-c3cc[c-]c(-c4ccccn4)c3)cc2)cc1.O=Cc1ccc(N(c2ccccc2)c2ccc(-c3cc[c-]c(-c4ccccn4)c3)cc2)cc1.[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of bis(2-(3-bromobenzene-6-id-1-yl)pyridine);bis(4-ethenyl-N-phenyl-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline);tris(iridium(3+));tris(2-phenylpyridine);bis(4-(N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]anilino)benzaldehyde);4-(N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anilino)benzaldehyde?

The InChIKey is CCJBCGRISADNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H23N2.2C30H21N2O.C25H26BNO3.2C11H7BrN.3C11H8N.3Ir/c2*1-2-24-14-18-29(19-15-24)33(28-11-4-3-5-12-28)30-20-16-25(17-21-30)26-9-8-10-27(23-26)31-13-6-7-22-32-31;2*33-22-23-12-16-28(17-13-23)32(27-9-2-1-3-10-27)29-18-14-24(15-19-29)25-7-6-8-26(21-25)30-11-4-5-20-31-30;1-24(2)25(3,4)30-26(29-24)20-12-16-23(17-13-20)27(21-8-6-5-7-9-21)22-14-10-19(18-28)11-15-22;2*12-10-5-3-4-9(8-10)11-6-1-2-7-13-11;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h2*2-9,11-23H,1H2;2*1-7,9-22H;5-18H,1-4H3;2*1-3,5-8H;3*1-6,8-9H;;;/q4*-1;;5*-1;3*+3.

What are the key properties of bis(2-(3-bromobenzene-6-id-1-yl)pyridine);bis(4-ethenyl-N-phenyl-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline);tris(iridium(3+));tris(2-phenylpyridine);bis(4-(N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]anilino)benzaldehyde);4-(N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anilino)benzaldehyde?

bis(2-(3-bromobenzene-6-id-1-yl)pyridine);bis(4-ethenyl-N-phenyl-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline);tris(iridium(3+));tris(2-phenylpyridine);bis(4-(N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]anilino)benzaldehyde);4-(N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anilino)benzaldehyde has a molecular weight of 3602.80 g/mol, XLogP of 51.18, 34 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-(3-bromobenzene-6-id-1-yl)pyridine);bis(4-ethenyl-N-phenyl-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline);tris(iridium(3+));tris(2-phenylpyridine);bis(4-(N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]anilino)benzaldehyde);4-(N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anilino)benzaldehyde is sourced from PubChem (CID 158881954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).