2-bromo-7-chloro-9,9-diphenylfluorene;7-(7-chloro-9,9-diphenylfluoren-2-yl)-9,9-dimethylfluorene-2-carbonitrile;4-chloro-2,6-diphenylpyrimidine;(7-cyano-9,9-dimethylfluoren-2-yl)boronic acid;7-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-2-yl]-9,9-dimethylfluorene-2-carbonitrile;7-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-9,9-dimethylfluorene-2-carbonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C214H172B4BrCl3N8O8 — CID 157266970

About 2-bromo-7-chloro-9,9-diphenylfluorene;7-(7-chloro-9,9-diphenylfluoren-2-yl)-9,9-dimethylfluorene-2-carbonitrile;4-chloro-2,6-diphenylpyrimidine;(7-cyano-9,9-dimethylfluoren-2-yl)boronic acid;7-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-2-yl]-9,9-dimethylfluorene-2-carbonitrile;7-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-9,9-dimethylfluorene-2-carbonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

2-bromo-7-chloro-9,9-diphenylfluorene;7-(7-chloro-9,9-diphenylfluoren-2-yl)-9,9-dimethylfluorene-2-carbonitrile;4-chloro-2,6-diphenylpyrimidine;(7-cyano-9,9-dimethylfluoren-2-yl)boronic acid;7-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-2-yl]-9,9-dimethylfluorene-2-carbonitrile;7-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-9,9-dimethylfluorene-2-carbonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 157266970) has the molecular formula C214H172B4BrCl3N8O8 and a molecular weight of 3213.29 g/mol. Its IUPAC name is 2-bromo-7-chloro-9,9-diphenylfluorene;7-(7-chloro-9,9-diphenylfluoren-2-yl)-9,9-dimethylfluorene-2-carbonitrile;4-chloro-2,6-diphenylpyrimidine;(7-cyano-9,9-dimethylfluoren-2-yl)boronic acid;7-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-2-yl]-9,9-dimethylfluorene-2-carbonitrile;7-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-9,9-dimethylfluorene-2-carbonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2-bromo-7-chloro-9,9-diphenylfluorene;7-(7-chloro-9,9-diphenylfluoren-2-yl)-9,9-dimethylfluorene-2-carbonitrile;4-chloro-2,6-diphenylpyrimidine;(7-cyano-9,9-dimethylfluoren-2-yl)boronic acid;7-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-2-yl]-9,9-dimethylfluorene-2-carbonitrile;7-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-9,9-dimethylfluorene-2-carbonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 157266970
• Molecular Formula: C214H172B4BrCl3N8O8
• Molecular Weight: 3213.29 g/mol
• Exact Mass: 3209.19
• IUPAC Name: 2-bromo-7-chloro-9,9-diphenylfluorene;7-(7-chloro-9,9-diphenylfluoren-2-yl)-9,9-dimethylfluorene-2-carbonitrile;4-chloro-2,6-diphenylpyrimidine;(7-cyano-9,9-dimethylfluoren-2-yl)boronic acid;7-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-2-yl]-9,9-dimethylfluorene-2-carbonitrile;7-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-9,9-dimethylfluorene-2-carbonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)c2cc(C#N)ccc2-c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)ccc3-4)cc21.CC1(C)c2cc(C#N)ccc2-c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(B5OC(C)(C)C(C)(C)O5)ccc3-4)cc21.CC1(C)c2cc(C#N)ccc2-c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(Cl)ccc3-4)cc21.CC1(C)c2cc(C#N)ccc2-c2ccc(B(O)O)cc21.Clc1cc(-c2ccccc2)nc(-c2ccccc2)n1.Clc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(Br)ccc1-2
• InChI: InChI=1S/C57H39N3.C47H40BNO2.C41H28ClN.C25H16BrCl.C16H14BNO2.C16H11ClN2.C12H24B2O4/c1-56(2)49-31-37(36-58)23-27-45(49)46-28-24-40(32-50(46)56)41-25-29-47-48-30-26-42(54-35-53(38-15-7-3-8-16-38)59-55(60-54)39-17-9-4-10-18-39)34-52(48)57(51(47)33-41,43-19-11-5-12-20-43)44-21-13-6-14-22-44;1-44(2)40-25-30(29-49)17-21-36(40)37-22-18-31(26-41(37)44)32-19-23-38-39-24-20-35(48-50-45(3,4)46(5,6)51-48)28-43(39)47(42(38)27-32,33-13-9-7-10-14-33)34-15-11-8-12-16-34;1-40(2)36-21-26(25-43)13-17-32(36)33-18-14-27(22-37(33)40)28-15-19-34-35-20-16-31(42)24-39(35)41(38(34)23-28,29-9-5-3-6-10-29)30-11-7-4-8-12-30;26-19-11-13-21-22-14-12-20(27)16-24(22)25(23(21)15-19,17-7-3-1-4-8-17)18-9-5-2-6-10-18;1-16(2)14-7-10(9-18)3-5-12(14)13-6-4-11(17(19)20)8-15(13)16;17-15-11-14(12-7-3-1-4-8-12)18-16(19-15)13-9-5-2-6-10-13;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h3-35H,1-2H3;7-28H,1-6H3;3-24H,1-2H3;1-16H;3-8,19-20H,1-2H3;1-11H;1-8H3
• InChIKey: AYCJFISXAYOKQA-UHFFFAOYSA-N
• XLogP: 50.15
• TPSA: 242.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 19
• Heavy Atoms: 238
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3213.29
LogP ≤ 5	50.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-chloro-9,9-diphenylfluorene;7-(7-chloro-9,9-diphenylfluoren-2-yl)-9,9-dimethylfluorene-2-carbonitrile;4-chloro-2,6-diphenylpyrimidine;(7-cyano-9,9-dimethylfluoren-2-yl)boronic acid;7-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-2-yl]-9,9-dimethylfluorene-2-carbonitrile;7-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-9,9-dimethylfluorene-2-carbonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 2-bromo-7-chloro-9,9-diphenylfluorene;7-(7-chloro-9,9-diphenylfluoren-2-yl)-9,9-dimethylfluorene-2-carbonitrile;4-chloro-2,6-diphenylpyrimidine;(7-cyano-9,9-dimethylfluoren-2-yl)boronic acid;7-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-2-yl]-9,9-dimethylfluorene-2-carbonitrile;7-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-9,9-dimethylfluorene-2-carbonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 157266970) is 2-bromo-7-chloro-9,9-diphenylfluorene;7-(7-chloro-9,9-diphenylfluoren-2-yl)-9,9-dimethylfluorene-2-carbonitrile;4-chloro-2,6-diphenylpyrimidine;(7-cyano-9,9-dimethylfluoren-2-yl)boronic acid;7-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-2-yl]-9,9-dimethylfluorene-2-carbonitrile;7-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-9,9-dimethylfluorene-2-carbonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 2-bromo-7-chloro-9,9-diphenylfluorene;7-(7-chloro-9,9-diphenylfluoren-2-yl)-9,9-dimethylfluorene-2-carbonitrile;4-chloro-2,6-diphenylpyrimidine;(7-cyano-9,9-dimethylfluoren-2-yl)boronic acid;7-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-2-yl]-9,9-dimethylfluorene-2-carbonitrile;7-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-9,9-dimethylfluorene-2-carbonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 2-bromo-7-chloro-9,9-diphenylfluorene;7-(7-chloro-9,9-diphenylfluoren-2-yl)-9,9-dimethylfluorene-2-carbonitrile;4-chloro-2,6-diphenylpyrimidine;(7-cyano-9,9-dimethylfluoren-2-yl)boronic acid;7-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-2-yl]-9,9-dimethylfluorene-2-carbonitrile;7-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-9,9-dimethylfluorene-2-carbonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)c2cc(C#N)ccc2-c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)ccc3-4)cc21.CC1(C)c2cc(C#N)ccc2-c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(B5OC(C)(C)C(C)(C)O5)ccc3-4)cc21.CC1(C)c2cc(C#N)ccc2-c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(Cl)ccc3-4)cc21.CC1(C)c2cc(C#N)ccc2-c2ccc(B(O)O)cc21.Clc1cc(-c2ccccc2)nc(-c2ccccc2)n1.Clc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(Br)ccc1-2.

What is the InChIKey of 2-bromo-7-chloro-9,9-diphenylfluorene;7-(7-chloro-9,9-diphenylfluoren-2-yl)-9,9-dimethylfluorene-2-carbonitrile;4-chloro-2,6-diphenylpyrimidine;(7-cyano-9,9-dimethylfluoren-2-yl)boronic acid;7-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-2-yl]-9,9-dimethylfluorene-2-carbonitrile;7-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-9,9-dimethylfluorene-2-carbonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is AYCJFISXAYOKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N3.C47H40BNO2.C41H28ClN.C25H16BrCl.C16H14BNO2.C16H11ClN2.C12H24B2O4/c1-56(2)49-31-37(36-58)23-27-45(49)46-28-24-40(32-50(46)56)41-25-29-47-48-30-26-42(54-35-53(38-15-7-3-8-16-38)59-55(60-54)39-17-9-4-10-18-39)34-52(48)57(51(47)33-41,43-19-11-5-12-20-43)44-21-13-6-14-22-44;1-44(2)40-25-30(29-49)17-21-36(40)37-22-18-31(26-41(37)44)32-19-23-38-39-24-20-35(48-50-45(3,4)46(5,6)51-48)28-43(39)47(42(38)27-32,33-13-9-7-10-14-33)34-15-11-8-12-16-34;1-40(2)36-21-26(25-43)13-17-32(36)33-18-14-27(22-37(33)40)28-15-19-34-35-20-16-31(42)24-39(35)41(38(34)23-28,29-9-5-3-6-10-29)30-11-7-4-8-12-30;26-19-11-13-21-22-14-12-20(27)16-24(22)25(23(21)15-19,17-7-3-1-4-8-17)18-9-5-2-6-10-18;1-16(2)14-7-10(9-18)3-5-12(14)13-6-4-11(17(19)20)8-15(13)16;17-15-11-14(12-7-3-1-4-8-12)18-16(19-15)13-9-5-2-6-10-13;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h3-35H,1-2H3;7-28H,1-6H3;3-24H,1-2H3;1-16H;3-8,19-20H,1-2H3;1-11H;1-8H3.

What are the key properties of 2-bromo-7-chloro-9,9-diphenylfluorene;7-(7-chloro-9,9-diphenylfluoren-2-yl)-9,9-dimethylfluorene-2-carbonitrile;4-chloro-2,6-diphenylpyrimidine;(7-cyano-9,9-dimethylfluoren-2-yl)boronic acid;7-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-2-yl]-9,9-dimethylfluorene-2-carbonitrile;7-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-9,9-dimethylfluorene-2-carbonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

2-bromo-7-chloro-9,9-diphenylfluorene;7-(7-chloro-9,9-diphenylfluoren-2-yl)-9,9-dimethylfluorene-2-carbonitrile;4-chloro-2,6-diphenylpyrimidine;(7-cyano-9,9-dimethylfluoren-2-yl)boronic acid;7-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-2-yl]-9,9-dimethylfluorene-2-carbonitrile;7-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-9,9-dimethylfluorene-2-carbonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 3213.29 g/mol, XLogP of 50.15, 19 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-7-chloro-9,9-diphenylfluorene;7-(7-chloro-9,9-diphenylfluoren-2-yl)-9,9-dimethylfluorene-2-carbonitrile;4-chloro-2,6-diphenylpyrimidine;(7-cyano-9,9-dimethylfluoren-2-yl)boronic acid;7-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-2-yl]-9,9-dimethylfluorene-2-carbonitrile;7-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-9,9-dimethylfluorene-2-carbonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 157266970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).