1-bromo-3-iodobenzene;5-(3-bromophenyl)-11,11-dimethylbenzo[b]fluorene;2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(11,11-dimethylbenzo[b]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C158H128B2Br2ClIN6O4 — CID 157197670

About 1-bromo-3-iodobenzene;5-(3-bromophenyl)-11,11-dimethylbenzo[b]fluorene;2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(11,11-dimethylbenzo[b]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

1-bromo-3-iodobenzene;5-(3-bromophenyl)-11,11-dimethylbenzo[b]fluorene;2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(11,11-dimethylbenzo[b]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 157197670) has the molecular formula C158H128B2Br2ClIN6O4 and a molecular weight of 2518.59 g/mol. Its IUPAC name is 1-bromo-3-iodobenzene;5-(3-bromophenyl)-11,11-dimethylbenzo[b]fluorene;2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(11,11-dimethylbenzo[b]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 1-bromo-3-iodobenzene;5-(3-bromophenyl)-11,11-dimethylbenzo[b]fluorene;2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(11,11-dimethylbenzo[b]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• PubChem CID: 157197670
• Molecular Formula: C158H128B2Br2ClIN6O4
• Molecular Weight: 2518.59 g/mol
• Exact Mass: 2514.73
• IUPAC Name: 1-bromo-3-iodobenzene;5-(3-bromophenyl)-11,11-dimethylbenzo[b]fluorene;2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(11,11-dimethylbenzo[b]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• SMILES: Brc1cccc(I)c1.CC1(C)c2ccccc2-c2c1cc1ccccc1c2-c1cccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c1.CC1(C)c2ccccc2-c2c1cc1ccccc1c2-c1cccc(B2OC(C)(C)C(C)(C)O2)c1.CC1(C)c2ccccc2-c2c1cc1ccccc1c2-c1cccc(Br)c1.CC1(C)c2ccccc2-c2c1cc1ccccc1c2B1OC(C)(C)C(C)(C)O1.Clc1nc(-c2ccc3ccccc3c2)nc(-c2ccc3ccccc3c2)n1
• InChI: InChI=1S/C48H33N3.C31H31BO2.C25H27BO2.C25H19Br.C23H14ClN3.C6H4BrI/c1-48(2)41-21-10-9-20-40(41)44-42(48)29-34-16-7-8-19-39(34)43(44)35-17-11-18-36(28-35)45-49-46(37-24-22-30-12-3-5-14-32(30)26-37)51-47(50-45)38-25-23-31-13-4-6-15-33(31)27-38;1-29(2)25-17-10-9-16-24(25)28-26(29)19-20-12-7-8-15-23(20)27(28)21-13-11-14-22(18-21)32-33-30(3,4)31(5,6)34-32;1-23(2)19-14-10-9-13-18(19)21-20(23)15-16-11-7-8-12-17(16)22(21)26-27-24(3,4)25(5,6)28-26;1-25(2)21-13-6-5-12-20(21)24-22(25)15-16-8-3-4-11-19(16)23(24)17-9-7-10-18(26)14-17;24-23-26-21(19-11-9-15-5-1-3-7-17(15)13-19)25-22(27-23)20-12-10-16-6-2-4-8-18(16)14-20;7-5-2-1-3-6(8)4-5/h3-29H,1-2H3;7-19H,1-6H3;7-15H,1-6H3;3-15H,1-2H3;1-14H;1-4H
• InChIKey: AQKYSAYCACCQAA-UHFFFAOYSA-N
• XLogP: 41.66
• TPSA: 114.26 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2518.59
LogP ≤ 5	41.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-iodobenzene;5-(3-bromophenyl)-11,11-dimethylbenzo[b]fluorene;2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(11,11-dimethylbenzo[b]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The IUPAC name of 1-bromo-3-iodobenzene;5-(3-bromophenyl)-11,11-dimethylbenzo[b]fluorene;2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(11,11-dimethylbenzo[b]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 157197670) is 1-bromo-3-iodobenzene;5-(3-bromophenyl)-11,11-dimethylbenzo[b]fluorene;2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(11,11-dimethylbenzo[b]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

What is the SMILES notation for 1-bromo-3-iodobenzene;5-(3-bromophenyl)-11,11-dimethylbenzo[b]fluorene;2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(11,11-dimethylbenzo[b]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The canonical SMILES for 1-bromo-3-iodobenzene;5-(3-bromophenyl)-11,11-dimethylbenzo[b]fluorene;2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(11,11-dimethylbenzo[b]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is Brc1cccc(I)c1.CC1(C)c2ccccc2-c2c1cc1ccccc1c2-c1cccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c1.CC1(C)c2ccccc2-c2c1cc1ccccc1c2-c1cccc(B2OC(C)(C)C(C)(C)O2)c1.CC1(C)c2ccccc2-c2c1cc1ccccc1c2-c1cccc(Br)c1.CC1(C)c2ccccc2-c2c1cc1ccccc1c2B1OC(C)(C)C(C)(C)O1.Clc1nc(-c2ccc3ccccc3c2)nc(-c2ccc3ccccc3c2)n1.

What is the InChIKey of 1-bromo-3-iodobenzene;5-(3-bromophenyl)-11,11-dimethylbenzo[b]fluorene;2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(11,11-dimethylbenzo[b]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The InChIKey is AQKYSAYCACCQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3.C31H31BO2.C25H27BO2.C25H19Br.C23H14ClN3.C6H4BrI/c1-48(2)41-21-10-9-20-40(41)44-42(48)29-34-16-7-8-19-39(34)43(44)35-17-11-18-36(28-35)45-49-46(37-24-22-30-12-3-5-14-32(30)26-37)51-47(50-45)38-25-23-31-13-4-6-15-33(31)27-38;1-29(2)25-17-10-9-16-24(25)28-26(29)19-20-12-7-8-15-23(20)27(28)21-13-11-14-22(18-21)32-33-30(3,4)31(5,6)34-32;1-23(2)19-14-10-9-13-18(19)21-20(23)15-16-11-7-8-12-17(16)22(21)26-27-24(3,4)25(5,6)28-26;1-25(2)21-13-6-5-12-20(21)24-22(25)15-16-8-3-4-11-19(16)23(24)17-9-7-10-18(26)14-17;24-23-26-21(19-11-9-15-5-1-3-7-17(15)13-19)25-22(27-23)20-12-10-16-6-2-4-8-18(16)14-20;7-5-2-1-3-6(8)4-5/h3-29H,1-2H3;7-19H,1-6H3;7-15H,1-6H3;3-15H,1-2H3;1-14H;1-4H.

What are the key properties of 1-bromo-3-iodobenzene;5-(3-bromophenyl)-11,11-dimethylbenzo[b]fluorene;2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(11,11-dimethylbenzo[b]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

1-bromo-3-iodobenzene;5-(3-bromophenyl)-11,11-dimethylbenzo[b]fluorene;2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(11,11-dimethylbenzo[b]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 2518.59 g/mol, XLogP of 41.66, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-3-iodobenzene;5-(3-bromophenyl)-11,11-dimethylbenzo[b]fluorene;2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(11,11-dimethylbenzo[b]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 157197670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).