2'-chlorospiro[benzo[a]fluorene-11,9'-fluorene];4,4,5,5-tetramethyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-yl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C76H70B3ClO6 — CID 158827379

About 2'-chlorospiro[benzo[a]fluorene-11,9'-fluorene];4,4,5,5-tetramethyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-yl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

2'-chlorospiro[benzo[a]fluorene-11,9'-fluorene];4,4,5,5-tetramethyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-yl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 158827379) has the molecular formula C76H70B3ClO6 and a molecular weight of 1147.28 g/mol. Its IUPAC name is 2'-chlorospiro[benzo[a]fluorene-11,9'-fluorene];4,4,5,5-tetramethyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-yl-1,3,2-dioxaborolane;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'-chlorospiro[benzo[a]fluorene-11,9'-fluorene];4,4,5,5-tetramethyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-yl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 158827379
• Molecular Formula: C76H70B3ClO6
• Molecular Weight: 1147.28 g/mol
• Exact Mass: 1146.51
• IUPAC Name: 2'-chlorospiro[benzo[a]fluorene-11,9'-fluorene];4,4,5,5-tetramethyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-yl-1,3,2-dioxaborolane;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)OB(c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc4ccccc4c32)OC1(C)C.Clc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc3ccccc3c21
• InChI: InChI=1S/C35H29BO2.C29H17Cl.C12H24B2O4/c1-33(2)34(3,4)38-36(37-33)23-18-20-27-25-13-7-9-15-29(25)35(31(27)21-23)30-16-10-8-14-26(30)28-19-17-22-11-5-6-12-24(22)32(28)35;30-19-14-16-23-21-9-3-5-11-25(21)29(27(23)17-19)26-12-6-4-10-22(26)24-15-13-18-7-1-2-8-20(18)28(24)29;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h5-21H,1-4H3;1-17H;1-8H3
• InChIKey: IWPUOMIEVLLMMR-UHFFFAOYSA-N
• XLogP: 17.57
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1147.28
LogP ≤ 5	17.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2'-chlorospiro[benzo[a]fluorene-11,9'-fluorene];4,4,5,5-tetramethyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-yl-1,3,2-dioxaborolane;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'-chlorospiro[benzo[a]fluorene-11,9'-fluorene];4,4,5,5-tetramethyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-yl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158827379) is 2'-chlorospiro[benzo[a]fluorene-11,9'-fluorene];4,4,5,5-tetramethyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-yl-1,3,2-dioxaborolane;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'-chlorospiro[benzo[a]fluorene-11,9'-fluorene];4,4,5,5-tetramethyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-yl-1,3,2-dioxaborolane;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'-chlorospiro[benzo[a]fluorene-11,9'-fluorene];4,4,5,5-tetramethyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-yl-1,3,2-dioxaborolane;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)OB(c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc4ccccc4c32)OC1(C)C.Clc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc3ccccc3c21.

What is the InChIKey of 2'-chlorospiro[benzo[a]fluorene-11,9'-fluorene];4,4,5,5-tetramethyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-yl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is IWPUOMIEVLLMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29BO2.C29H17Cl.C12H24B2O4/c1-33(2)34(3,4)38-36(37-33)23-18-20-27-25-13-7-9-15-29(25)35(31(27)21-23)30-16-10-8-14-26(30)28-19-17-22-11-5-6-12-24(22)32(28)35;30-19-14-16-23-21-9-3-5-11-25(21)29(27(23)17-19)26-12-6-4-10-22(26)24-15-13-18-7-1-2-8-20(18)28(24)29;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h5-21H,1-4H3;1-17H;1-8H3.

What are the key properties of 2'-chlorospiro[benzo[a]fluorene-11,9'-fluorene];4,4,5,5-tetramethyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-yl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

2'-chlorospiro[benzo[a]fluorene-11,9'-fluorene];4,4,5,5-tetramethyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-yl-1,3,2-dioxaborolane;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 1147.28 g/mol, XLogP of 17.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2'-chlorospiro[benzo[a]fluorene-11,9'-fluorene];4,4,5,5-tetramethyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-yl-1,3,2-dioxaborolane;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 158827379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).