3-bromo-11H-benzo[a]fluorene;3-bromo-11,11-dimethylbenzo[a]fluorene;2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[a]fluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,4,5,5-tetramethyl-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

C134H120B3Br3N6O6 — CID 167693101

IUPAC3-bromo-11H-benzo[a]fluorene;3-bromo-11,11-dimethylbenzo[a]fluorene;2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[a]fluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,4,5,5-tetramethyl-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
SMILESBrc1ccc2c3c(ccc2c1)-c1ccccc1C3.Brc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)c2ccccc2-c2ccc3cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)ccc3c21.CC1(C)c2ccccc2-c2ccc3cc(B4OC(C)(C)C(C)(C)O4)ccc3c21.CC1(C)c2ccccc2-c2ccc3cc(Br)ccc3c21
InChIInChI=1S/C40H29N3.C25H27BO2.C21H14BrN3.C19H15Br.C17H11Br.C12H24B2O4/c1-40(2)35-19-10-9-18-33(35)34-23-21-30-24-29(20-22-32(30)36(34)40)28-16-11-17-31(25-28)39-42-37(26-12-5-3-6-13-26)41-38(43-39)27-14-7-4-8-15-27;1-23(2)21-10-8-7-9-19(21)20-13-11-16-15-17(12-14-18(16)22(20)23)26-27-24(3,4)25(5,6)28-26;22-18-13-7-12-17(14-18)21-24-19(15-8-3-1-4-9-15)23-20(25-21)16-10-5-2-6-11-16;1-19(2)17-6-4-3-5-15(17)16-9-7-12-11-13(20)8-10-14(12)18(16)19;18-13-6-8-15-12(9-13)5-7-16-14-4-2-1-3-11(14)10-17(15)16;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h3-25H,1-2H3;7-15H,1-6H3;1-14H;3-11H,1-2H3;1-9H,10H2;1-8H3
InChIKeyXGABDUVKVSOREG-UHFFFAOYSA-N
MW2182.62 g/mol
LogP34.41
Rot. Bonds9

About 3-bromo-11H-benzo[a]fluorene;3-bromo-11,11-dimethylbenzo[a]fluorene;2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[a]fluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,4,5,5-tetramethyl-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

3-bromo-11H-benzo[a]fluorene;3-bromo-11,11-dimethylbenzo[a]fluorene;2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[a]fluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,4,5,5-tetramethyl-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 167693101) has the molecular formula C134H120B3Br3N6O6 and a molecular weight of 2182.62 g/mol. Its IUPAC name is 3-bromo-11H-benzo[a]fluorene;3-bromo-11,11-dimethylbenzo[a]fluorene;2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[a]fluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,4,5,5-tetramethyl-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 Name3-bromo-11H-benzo[a]fluorene;3-bromo-11,11-dimethylbenzo[a]fluorene;2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[a]fluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,4,5,5-tetramethyl-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 CID167693101
Molecular FormulaC134H120B3Br3N6O6
Molecular Weight2182.62 g/mol
Exact Mass2178.71
IUPAC Name3-bromo-11H-benzo[a]fluorene;3-bromo-11,11-dimethylbenzo[a]fluorene;2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[a]fluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,4,5,5-tetramethyl-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
SMILESBrc1ccc2c3c(ccc2c1)-c1ccccc1C3.Brc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)c2ccccc2-c2ccc3cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)ccc3c21.CC1(C)c2ccccc2-c2ccc3cc(B4OC(C)(C)C(C)(C)O4)ccc3c21.CC1(C)c2ccccc2-c2ccc3cc(Br)ccc3c21
InChIInChI=1S/C40H29N3.C25H27BO2.C21H14BrN3.C19H15Br.C17H11Br.C12H24B2O4/c1-40(2)35-19-10-9-18-33(35)34-23-21-30-24-29(20-22-32(30)36(34)40)28-16-11-17-31(25-28)39-42-37(26-12-5-3-6-13-26)41-38(43-39)27-14-7-4-8-15-27;1-23(2)21-10-8-7-9-19(21)20-13-11-16-15-17(12-14-18(16)22(20)23)26-27-24(3,4)25(5,6)28-26;22-18-13-7-12-17(14-18)21-24-19(15-8-3-1-4-9-15)23-20(25-21)16-10-5-2-6-11-16;1-19(2)17-6-4-3-5-15(17)16-9-7-12-11-13(20)8-10-14(12)18(16)19;18-13-6-8-15-12(9-13)5-7-16-14-4-2-1-3-11(14)10-17(15)16;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h3-25H,1-2H3;7-15H,1-6H3;1-14H;3-11H,1-2H3;1-9H,10H2;1-8H3
InChIKeyXGABDUVKVSOREG-UHFFFAOYSA-N
XLogP34.41
TPSA132.72 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002182.62
LogP ≤ 534.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 3-bromo-11H-benzo[a]fluorene;3-bromo-11,11-dimethylbenzo[a]fluorene;2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[a]fluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,4,5,5-tetramethyl-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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-9H-fluorene;2-(3-bromophenyl)-4,6-diphenylpyrimidine;4,6-diphenyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine;methane;4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane
CID 162039184
2-[3-(3-bromophenyl)phenyl]-4-phenylquinazoline;4-phenyl-2-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]quinazoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 159010808
2-phenyl-4-(3-phenylphenyl)-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 140815451
1-bromo-3-(3-bromophenyl)benzene;3,6-dibromo-9-phenylcarbazole;9-phenyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;2-phenyl-4,6-bis[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 159669749
2-[3-(9,9-dimethylfluoren-2-yl)-5-(9H-fluoren-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;methane
CID 161494558
2-(9,9-dimethylfluoren-2-yl)-4-[3-(9H-fluoren-1-yl)-5-(4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 118685337
2-[4-(11,11-dimethylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155465824
2-[3-[3-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 145436463
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-spiro[benzo[a]fluorene-11,9'-fluorene]-3-yl-1,3,5-triazine
CID 155465480
2-bromospiro[fluorene-9,9'-xanthene];2,4-dinaphthalen-2-yl-6-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 159887874
4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]-1,3,2-dioxaborolane
CID 140768909
2-[3-[6-(9,9-dimethylfluoren-2-yl)-9H-fluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121241565

Frequently Asked Questions

What is the IUPAC name of 3-bromo-11H-benzo[a]fluorene;3-bromo-11,11-dimethylbenzo[a]fluorene;2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[a]fluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,4,5,5-tetramethyl-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 3-bromo-11H-benzo[a]fluorene;3-bromo-11,11-dimethylbenzo[a]fluorene;2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[a]fluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,4,5,5-tetramethyl-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 167693101) is 3-bromo-11H-benzo[a]fluorene;3-bromo-11,11-dimethylbenzo[a]fluorene;2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[a]fluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,4,5,5-tetramethyl-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 3-bromo-11H-benzo[a]fluorene;3-bromo-11,11-dimethylbenzo[a]fluorene;2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[a]fluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,4,5,5-tetramethyl-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 3-bromo-11H-benzo[a]fluorene;3-bromo-11,11-dimethylbenzo[a]fluorene;2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[a]fluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,4,5,5-tetramethyl-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 Brc1ccc2c3c(ccc2c1)-c1ccccc1C3.Brc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)c2ccccc2-c2ccc3cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)ccc3c21.CC1(C)c2ccccc2-c2ccc3cc(B4OC(C)(C)C(C)(C)O4)ccc3c21.CC1(C)c2ccccc2-c2ccc3cc(Br)ccc3c21.
What is the InChIKey of 3-bromo-11H-benzo[a]fluorene;3-bromo-11,11-dimethylbenzo[a]fluorene;2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[a]fluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,4,5,5-tetramethyl-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 XGABDUVKVSOREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N3.C25H27BO2.C21H14BrN3.C19H15Br.C17H11Br.C12H24B2O4/c1-40(2)35-19-10-9-18-33(35)34-23-21-30-24-29(20-22-32(30)36(34)40)28-16-11-17-31(25-28)39-42-37(26-12-5-3-6-13-26)41-38(43-39)27-14-7-4-8-15-27;1-23(2)21-10-8-7-9-19(21)20-13-11-16-15-17(12-14-18(16)22(20)23)26-27-24(3,4)25(5,6)28-26;22-18-13-7-12-17(14-18)21-24-19(15-8-3-1-4-9-15)23-20(25-21)16-10-5-2-6-11-16;1-19(2)17-6-4-3-5-15(17)16-9-7-12-11-13(20)8-10-14(12)18(16)19;18-13-6-8-15-12(9-13)5-7-16-14-4-2-1-3-11(14)10-17(15)16;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h3-25H,1-2H3;7-15H,1-6H3;1-14H;3-11H,1-2H3;1-9H,10H2;1-8H3.
What are the key properties of 3-bromo-11H-benzo[a]fluorene;3-bromo-11,11-dimethylbenzo[a]fluorene;2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[a]fluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,4,5,5-tetramethyl-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?
3-bromo-11H-benzo[a]fluorene;3-bromo-11,11-dimethylbenzo[a]fluorene;2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[a]fluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,4,5,5-tetramethyl-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 2182.62 g/mol, XLogP of 34.41, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-11H-benzo[a]fluorene;3-bromo-11,11-dimethylbenzo[a]fluorene;2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[a]fluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,4,5,5-tetramethyl-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 167693101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).