3-[3-(7-bromo-9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole;2-bromo-7-iodo-9,9-dimethylfluorene;9-phenyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole

C84H68BBr2IN2O2 — CID 159493600

About 3-[3-(7-bromo-9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole;2-bromo-7-iodo-9,9-dimethylfluorene;9-phenyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole

3-[3-(7-bromo-9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole;2-bromo-7-iodo-9,9-dimethylfluorene;9-phenyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole (PubChem CID 159493600) has the molecular formula C84H68BBr2IN2O2 and a molecular weight of 1435.00 g/mol. Its IUPAC name is 3-[3-(7-bromo-9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole;2-bromo-7-iodo-9,9-dimethylfluorene;9-phenyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 3-[3-(7-bromo-9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole;2-bromo-7-iodo-9,9-dimethylfluorene;9-phenyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
• PubChem CID: 159493600
• Molecular Formula: C84H68BBr2IN2O2
• Molecular Weight: 1435.00 g/mol
• Exact Mass: 1432.28
• IUPAC Name: 3-[3-(7-bromo-9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole;2-bromo-7-iodo-9,9-dimethylfluorene;9-phenyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
• SMILES: CC1(C)OB(c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)OC1(C)C.CC1(C)c2cc(Br)ccc2-c2ccc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)cc21.CC1(C)c2cc(Br)ccc2-c2ccc(I)cc21
• InChI: InChI=1S/C39H28BrN.C30H28BNO2.C15H12BrI/c1-39(2)35-23-28(15-18-31(35)32-19-17-29(40)24-36(32)39)26-10-8-9-25(21-26)27-16-20-38-34(22-27)33-13-6-7-14-37(33)41(38)30-11-4-3-5-12-30;1-29(2)30(3,4)34-31(33-29)23-12-10-11-21(19-23)22-17-18-28-26(20-22)25-15-8-9-16-27(25)32(28)24-13-6-5-7-14-24;1-15(2)13-7-9(16)3-5-11(13)12-6-4-10(17)8-14(12)15/h3-24H,1-2H3;5-20H,1-4H3;3-8H,1-2H3
• InChIKey: LYMPZBIGMMQRLA-UHFFFAOYSA-N
• XLogP: 23.30
• TPSA: 28.32 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1435.00
LogP ≤ 5	23.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 3-[3-(7-bromo-9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole;2-bromo-7-iodo-9,9-dimethylfluorene;9-phenyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole?

The IUPAC name of 3-[3-(7-bromo-9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole;2-bromo-7-iodo-9,9-dimethylfluorene;9-phenyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole (CID 159493600) is 3-[3-(7-bromo-9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole;2-bromo-7-iodo-9,9-dimethylfluorene;9-phenyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole.

What is the SMILES notation for 3-[3-(7-bromo-9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole;2-bromo-7-iodo-9,9-dimethylfluorene;9-phenyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole?

The canonical SMILES for 3-[3-(7-bromo-9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole;2-bromo-7-iodo-9,9-dimethylfluorene;9-phenyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole is CC1(C)OB(c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)OC1(C)C.CC1(C)c2cc(Br)ccc2-c2ccc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)cc21.CC1(C)c2cc(Br)ccc2-c2ccc(I)cc21.

What is the InChIKey of 3-[3-(7-bromo-9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole;2-bromo-7-iodo-9,9-dimethylfluorene;9-phenyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole?

The InChIKey is LYMPZBIGMMQRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28BrN.C30H28BNO2.C15H12BrI/c1-39(2)35-23-28(15-18-31(35)32-19-17-29(40)24-36(32)39)26-10-8-9-25(21-26)27-16-20-38-34(22-27)33-13-6-7-14-37(33)41(38)30-11-4-3-5-12-30;1-29(2)30(3,4)34-31(33-29)23-12-10-11-21(19-23)22-17-18-28-26(20-22)25-15-8-9-16-27(25)32(28)24-13-6-5-7-14-24;1-15(2)13-7-9(16)3-5-11(13)12-6-4-10(17)8-14(12)15/h3-24H,1-2H3;5-20H,1-4H3;3-8H,1-2H3.

What are the key properties of 3-[3-(7-bromo-9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole;2-bromo-7-iodo-9,9-dimethylfluorene;9-phenyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole?

3-[3-(7-bromo-9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole;2-bromo-7-iodo-9,9-dimethylfluorene;9-phenyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole has a molecular weight of 1435.00 g/mol, XLogP of 23.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(7-bromo-9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole;2-bromo-7-iodo-9,9-dimethylfluorene;9-phenyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole is sourced from PubChem (CID 159493600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).