4-(4-bromophenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;4-[4-[7-[4-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane

C118H109B2BrN6O4 — CID 159747035

About 4-(4-bromophenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;4-[4-[7-[4-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane

4-(4-bromophenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;4-[4-[7-[4-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane (PubChem CID 159747035) has the molecular formula C118H109B2BrN6O4 and a molecular weight of 1776.74 g/mol. Its IUPAC name is 4-(4-bromophenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;4-[4-[7-[4-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane.

Molecular Properties

• Compound Name: 4-(4-bromophenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;4-[4-[7-[4-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane
• PubChem CID: 159747035
• Molecular Formula: C118H109B2BrN6O4
• Molecular Weight: 1776.74 g/mol
• Exact Mass: 1774.79
• IUPAC Name: 4-(4-bromophenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;4-[4-[7-[4-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane
• SMILES: C.CC1(C)c2cc(-c3ccc(-c4nc(-c5ccccc5)nc5c4C(C)(C)c4ccccc4-5)cc3)ccc2-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc5c4C(C)(C)c4ccccc4-5)cc3)cc21.CC1(C)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CC1(C)c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccc(Br)cc3)c21
• InChI: InChI=1S/C65H50N4.C27H36B2O4.C25H19BrN2.CH4/c1-63(2)53-37-45(39-25-29-41(30-26-39)57-55-59(49-21-13-15-23-51(49)64(55,3)4)68-61(66-57)43-17-9-7-10-18-43)33-35-47(53)48-36-34-46(38-54(48)63)40-27-31-42(32-28-40)58-56-60(50-22-14-16-24-52(50)65(56,5)6)69-62(67-58)44-19-11-8-12-20-44;1-23(2)21-15-17(28-30-24(3,4)25(5,6)31-28)11-13-19(21)20-14-12-18(16-22(20)23)29-32-26(7,8)27(9,10)33-29;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;/h7-38H,1-6H3;11-16H,1-10H3;3-15H,1-2H3;1H4
• InChIKey: NDEAGGYMQYWKKF-UHFFFAOYSA-N
• XLogP: 28.29
• TPSA: 114.26 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1776.74
LogP ≤ 5	28.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;4-[4-[7-[4-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane?

The IUPAC name of 4-(4-bromophenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;4-[4-[7-[4-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane (CID 159747035) is 4-(4-bromophenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;4-[4-[7-[4-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane.

What is the SMILES notation for 4-(4-bromophenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;4-[4-[7-[4-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane?

The canonical SMILES for 4-(4-bromophenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;4-[4-[7-[4-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane is C.CC1(C)c2cc(-c3ccc(-c4nc(-c5ccccc5)nc5c4C(C)(C)c4ccccc4-5)cc3)ccc2-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc5c4C(C)(C)c4ccccc4-5)cc3)cc21.CC1(C)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CC1(C)c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccc(Br)cc3)c21.

What is the InChIKey of 4-(4-bromophenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;4-[4-[7-[4-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane?

The InChIKey is NDEAGGYMQYWKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H50N4.C27H36B2O4.C25H19BrN2.CH4/c1-63(2)53-37-45(39-25-29-41(30-26-39)57-55-59(49-21-13-15-23-51(49)64(55,3)4)68-61(66-57)43-17-9-7-10-18-43)33-35-47(53)48-36-34-46(38-54(48)63)40-27-31-42(32-28-40)58-56-60(50-22-14-16-24-52(50)65(56,5)6)69-62(67-58)44-19-11-8-12-20-44;1-23(2)21-15-17(28-30-24(3,4)25(5,6)31-28)11-13-19(21)20-14-12-18(16-22(20)23)29-32-26(7,8)27(9,10)33-29;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;/h7-38H,1-6H3;11-16H,1-10H3;3-15H,1-2H3;1H4.

What are the key properties of 4-(4-bromophenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;4-[4-[7-[4-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane?

4-(4-bromophenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;4-[4-[7-[4-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane has a molecular weight of 1776.74 g/mol, XLogP of 28.29, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-bromophenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;4-[4-[7-[4-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane is sourced from PubChem (CID 159747035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).