boranuide;4-(4-bromophenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C86H80B2BrN4O2- — CID 157288324

About boranuide;4-(4-bromophenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

boranuide;4-(4-bromophenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 157288324) has the molecular formula C86H80B2BrN4O2- and a molecular weight of 1303.14 g/mol. Its IUPAC name is boranuide;4-(4-bromophenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: boranuide;4-(4-bromophenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• PubChem CID: 157288324
• Molecular Formula: C86H80B2BrN4O2-
• Molecular Weight: 1303.14 g/mol
• Exact Mass: 1301.57
• IUPAC Name: boranuide;4-(4-bromophenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc5c4C(C)(C)c4ccccc4-5)cc3)cc21.CC1(C)c2ccccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CC1(C)c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccc(Br)cc3)c21.[BH4-]
• InChI: InChI=1S/C40H32N2.C25H19BrN2.C21H25BO2.BH4/c1-39(2)32-16-10-8-14-29(32)30-23-22-28(24-34(30)39)25-18-20-26(21-19-25)36-35-37(31-15-9-11-17-33(31)40(35,3)4)42-38(41-36)27-12-6-5-7-13-27;1-25(2)20-11-7-6-10-19(20)23-21(25)22(16-12-14-18(26)15-13-16)27-24(28-23)17-8-4-3-5-9-17;1-19(2)17-10-8-7-9-15(17)16-12-11-14(13-18(16)19)22-23-20(3,4)21(5,6)24-22;/h5-24H,1-4H3;3-15H,1-2H3;7-13H,1-6H3;1H4/q;;;-1
• InChIKey: BAMQXIZTZJDTHG-UHFFFAOYSA-N
• XLogP: 19.81
• TPSA: 70.02 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1303.14
LogP ≤ 5	19.81
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 boranuide;4-(4-bromophenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The IUPAC name of boranuide;4-(4-bromophenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 157288324) is boranuide;4-(4-bromophenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

What is the SMILES notation for boranuide;4-(4-bromophenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The canonical SMILES for boranuide;4-(4-bromophenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc5c4C(C)(C)c4ccccc4-5)cc3)cc21.CC1(C)c2ccccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CC1(C)c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccc(Br)cc3)c21.[BH4-].

What is the InChIKey of boranuide;4-(4-bromophenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The InChIKey is BAMQXIZTZJDTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32N2.C25H19BrN2.C21H25BO2.BH4/c1-39(2)32-16-10-8-14-29(32)30-23-22-28(24-34(30)39)25-18-20-26(21-19-25)36-35-37(31-15-9-11-17-33(31)40(35,3)4)42-38(41-36)27-12-6-5-7-13-27;1-25(2)20-11-7-6-10-19(20)23-21(25)22(16-12-14-18(26)15-13-16)27-24(28-23)17-8-4-3-5-9-17;1-19(2)17-10-8-7-9-15(17)16-12-11-14(13-18(16)19)22-23-20(3,4)21(5,6)24-22;/h5-24H,1-4H3;3-15H,1-2H3;7-13H,1-6H3;1H4/q;;;-1.

What are the key properties of boranuide;4-(4-bromophenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

boranuide;4-(4-bromophenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 1303.14 g/mol, XLogP of 19.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for boranuide;4-(4-bromophenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 157288324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).