2'-chlorospiro[adamantane-2,9'-fluorene];2,9-di(spiro[adamantane-2,9'-fluorene]-2'-yl)carbazole;methane;9-spiro[adamantane-2,9'-fluorene]-2'-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole

C119H114BClN2O2 — CID 165075254

About 2'-chlorospiro[adamantane-2,9'-fluorene];2,9-di(spiro[adamantane-2,9'-fluorene]-2'-yl)carbazole;methane;9-spiro[adamantane-2,9'-fluorene]-2'-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole

2'-chlorospiro[adamantane-2,9'-fluorene];2,9-di(spiro[adamantane-2,9'-fluorene]-2'-yl)carbazole;methane;9-spiro[adamantane-2,9'-fluorene]-2'-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole (PubChem CID 165075254) has the molecular formula C119H114BClN2O2 and a molecular weight of 1650.50 g/mol. Its IUPAC name is 2'-chlorospiro[adamantane-2,9'-fluorene];2,9-di(spiro[adamantane-2,9'-fluorene]-2'-yl)carbazole;methane;9-spiro[adamantane-2,9'-fluorene]-2'-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole.

Molecular Properties

• Compound Name: 2'-chlorospiro[adamantane-2,9'-fluorene];2,9-di(spiro[adamantane-2,9'-fluorene]-2'-yl)carbazole;methane;9-spiro[adamantane-2,9'-fluorene]-2'-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
• PubChem CID: 165075254
• Molecular Formula: C119H114BClN2O2
• Molecular Weight: 1650.50 g/mol
• Exact Mass: 1648.87
• IUPAC Name: 2'-chlorospiro[adamantane-2,9'-fluorene];2,9-di(spiro[adamantane-2,9'-fluorene]-2'-yl)carbazole;methane;9-spiro[adamantane-2,9'-fluorene]-2'-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
• SMILES: C.CC1(C)OB(c2ccc3c4ccccc4n(-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)CC4C6)c3c2)OC1(C)C.Clc1ccc2c(c1)C1(c3ccccc3-2)C2CC3CC(C2)CC1C3.c1ccc2c(c1)-c1ccc(-c3ccc4c5ccccc5n(-c5ccc6c(c5)C5(c7ccccc7-6)C6CC7CC(C6)CC5C7)c4c3)cc1C21C2CC3CC(C2)CC1C3
• InChI: InChI=1S/C56H49N.C40H40BNO2.C22H21Cl.CH4/c1-4-10-49-43(7-1)45-16-13-36(29-51(45)55(49)38-21-32-19-33(23-38)24-39(55)22-32)37-14-17-48-47-9-3-6-12-53(47)57(54(48)30-37)42-15-18-46-44-8-2-5-11-50(44)56(52(46)31-42)40-25-34-20-35(27-40)28-41(56)26-34;1-38(2)39(3,4)44-41(43-38)28-13-15-33-32-10-6-8-12-36(32)42(37(33)22-28)29-14-16-31-30-9-5-7-11-34(30)40(35(31)23-29)26-18-24-17-25(20-26)21-27(40)19-24;23-17-5-6-19-18-3-1-2-4-20(18)22(21(19)12-17)15-8-13-7-14(10-15)11-16(22)9-13;/h1-18,29-35,38-41H,19-28H2;5-16,22-27H,17-21H2,1-4H3;1-6,12-16H,7-11H2;1H4
• InChIKey: UEYDWPYFVHWJAA-UHFFFAOYSA-N
• XLogP: 29.40
• TPSA: 28.32 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1650.50
LogP ≤ 5	29.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2'-chlorospiro[adamantane-2,9'-fluorene];2,9-di(spiro[adamantane-2,9'-fluorene]-2'-yl)carbazole;methane;9-spiro[adamantane-2,9'-fluorene]-2'-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?

The IUPAC name of 2'-chlorospiro[adamantane-2,9'-fluorene];2,9-di(spiro[adamantane-2,9'-fluorene]-2'-yl)carbazole;methane;9-spiro[adamantane-2,9'-fluorene]-2'-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole (CID 165075254) is 2'-chlorospiro[adamantane-2,9'-fluorene];2,9-di(spiro[adamantane-2,9'-fluorene]-2'-yl)carbazole;methane;9-spiro[adamantane-2,9'-fluorene]-2'-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole.

What is the SMILES notation for 2'-chlorospiro[adamantane-2,9'-fluorene];2,9-di(spiro[adamantane-2,9'-fluorene]-2'-yl)carbazole;methane;9-spiro[adamantane-2,9'-fluorene]-2'-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?

The canonical SMILES for 2'-chlorospiro[adamantane-2,9'-fluorene];2,9-di(spiro[adamantane-2,9'-fluorene]-2'-yl)carbazole;methane;9-spiro[adamantane-2,9'-fluorene]-2'-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole is C.CC1(C)OB(c2ccc3c4ccccc4n(-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)CC4C6)c3c2)OC1(C)C.Clc1ccc2c(c1)C1(c3ccccc3-2)C2CC3CC(C2)CC1C3.c1ccc2c(c1)-c1ccc(-c3ccc4c5ccccc5n(-c5ccc6c(c5)C5(c7ccccc7-6)C6CC7CC(C6)CC5C7)c4c3)cc1C21C2CC3CC(C2)CC1C3.

What is the InChIKey of 2'-chlorospiro[adamantane-2,9'-fluorene];2,9-di(spiro[adamantane-2,9'-fluorene]-2'-yl)carbazole;methane;9-spiro[adamantane-2,9'-fluorene]-2'-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?

The InChIKey is UEYDWPYFVHWJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H49N.C40H40BNO2.C22H21Cl.CH4/c1-4-10-49-43(7-1)45-16-13-36(29-51(45)55(49)38-21-32-19-33(23-38)24-39(55)22-32)37-14-17-48-47-9-3-6-12-53(47)57(54(48)30-37)42-15-18-46-44-8-2-5-11-50(44)56(52(46)31-42)40-25-34-20-35(27-40)28-41(56)26-34;1-38(2)39(3,4)44-41(43-38)28-13-15-33-32-10-6-8-12-36(32)42(37(33)22-28)29-14-16-31-30-9-5-7-11-34(30)40(35(31)23-29)26-18-24-17-25(20-26)21-27(40)19-24;23-17-5-6-19-18-3-1-2-4-20(18)22(21(19)12-17)15-8-13-7-14(10-15)11-16(22)9-13;/h1-18,29-35,38-41H,19-28H2;5-16,22-27H,17-21H2,1-4H3;1-6,12-16H,7-11H2;1H4.

What are the key properties of 2'-chlorospiro[adamantane-2,9'-fluorene];2,9-di(spiro[adamantane-2,9'-fluorene]-2'-yl)carbazole;methane;9-spiro[adamantane-2,9'-fluorene]-2'-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?

2'-chlorospiro[adamantane-2,9'-fluorene];2,9-di(spiro[adamantane-2,9'-fluorene]-2'-yl)carbazole;methane;9-spiro[adamantane-2,9'-fluorene]-2'-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole has a molecular weight of 1650.50 g/mol, XLogP of 29.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2'-chlorospiro[adamantane-2,9'-fluorene];2,9-di(spiro[adamantane-2,9'-fluorene]-2'-yl)carbazole;methane;9-spiro[adamantane-2,9'-fluorene]-2'-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole is sourced from PubChem (CID 165075254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).