2-bromo-9H-fluorene;3-bromo-9H-fluorene;1-bromo-2-nitrobenzene;2-bromo-9-phenylcarbazole;1-(4-bromophenyl)-2-nitrobenzene;2-(9H-carbazol-3-yl)-9-phenylcarbazole;9H-fluorene;1-nitro-2-phenylbenzene;(9-phenylcarbazol-2-yl)boronic acid

C135H95BBr5N7O8 — CID 161079366

IUPAC2-bromo-9H-fluorene;3-bromo-9H-fluorene;1-bromo-2-nitrobenzene;2-bromo-9-phenylcarbazole;1-(4-bromophenyl)-2-nitrobenzene;2-(9H-carbazol-3-yl)-9-phenylcarbazole;9H-fluorene;1-nitro-2-phenylbenzene;(9-phenylcarbazol-2-yl)boronic acid
SMILESBrc1ccc2c(c1)-c1ccccc1C2.Brc1ccc2c(c1)Cc1ccccc1-2.Brc1ccc2c3ccccc3n(-c3ccccc3)c2c1.O=[N+]([O-])c1ccccc1-c1ccc(Br)cc1.O=[N+]([O-])c1ccccc1-c1ccccc1.O=[N+]([O-])c1ccccc1Br.OB(O)c1ccc2c3ccccc3n(-c3ccccc3)c2c1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5[nH]c6ccccc6c5c4)cc32)cc1.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C30H20N2.C18H14BNO2.C18H12BrN.2C13H9Br.C13H10.C12H8BrNO2.C12H9NO2.C6H4BrNO2/c1-2-8-22(9-3-1)32-29-13-7-5-11-24(29)25-16-14-21(19-30(25)32)20-15-17-28-26(18-20)23-10-4-6-12-27(23)31-28;21-19(22)13-10-11-16-15-8-4-5-9-17(15)20(18(16)12-13)14-6-2-1-3-7-14;19-13-10-11-16-15-8-4-5-9-17(15)20(18(16)12-13)14-6-2-1-3-7-14;14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13;14-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14(15)16;14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10;7-5-3-1-2-4-6(5)8(9)10/h1-19,31H;1-12,21-22H;1-12H;2*1-6,8H,7H2;1-8H,9H2;1-8H;1-9H;1-4H
InChIKeyUFRYAKOLPQFBQG-UHFFFAOYSA-N
MW2353.62 g/mol
LogP37.04
Rot. Bonds10

About 2-bromo-9H-fluorene;3-bromo-9H-fluorene;1-bromo-2-nitrobenzene;2-bromo-9-phenylcarbazole;1-(4-bromophenyl)-2-nitrobenzene;2-(9H-carbazol-3-yl)-9-phenylcarbazole;9H-fluorene;1-nitro-2-phenylbenzene;(9-phenylcarbazol-2-yl)boronic acid

2-bromo-9H-fluorene;3-bromo-9H-fluorene;1-bromo-2-nitrobenzene;2-bromo-9-phenylcarbazole;1-(4-bromophenyl)-2-nitrobenzene;2-(9H-carbazol-3-yl)-9-phenylcarbazole;9H-fluorene;1-nitro-2-phenylbenzene;(9-phenylcarbazol-2-yl)boronic acid (PubChem CID 161079366) has the molecular formula C135H95BBr5N7O8 and a molecular weight of 2353.62 g/mol. Its IUPAC name is 2-bromo-9H-fluorene;3-bromo-9H-fluorene;1-bromo-2-nitrobenzene;2-bromo-9-phenylcarbazole;1-(4-bromophenyl)-2-nitrobenzene;2-(9H-carbazol-3-yl)-9-phenylcarbazole;9H-fluorene;1-nitro-2-phenylbenzene;(9-phenylcarbazol-2-yl)boronic acid.

Molecular Properties

Compound Name2-bromo-9H-fluorene;3-bromo-9H-fluorene;1-bromo-2-nitrobenzene;2-bromo-9-phenylcarbazole;1-(4-bromophenyl)-2-nitrobenzene;2-(9H-carbazol-3-yl)-9-phenylcarbazole;9H-fluorene;1-nitro-2-phenylbenzene;(9-phenylcarbazol-2-yl)boronic acid
PubChem CID161079366
Molecular FormulaC135H95BBr5N7O8
Molecular Weight2353.62 g/mol
Exact Mass2347.33
IUPAC Name2-bromo-9H-fluorene;3-bromo-9H-fluorene;1-bromo-2-nitrobenzene;2-bromo-9-phenylcarbazole;1-(4-bromophenyl)-2-nitrobenzene;2-(9H-carbazol-3-yl)-9-phenylcarbazole;9H-fluorene;1-nitro-2-phenylbenzene;(9-phenylcarbazol-2-yl)boronic acid
SMILESBrc1ccc2c(c1)-c1ccccc1C2.Brc1ccc2c(c1)Cc1ccccc1-2.Brc1ccc2c3ccccc3n(-c3ccccc3)c2c1.O=[N+]([O-])c1ccccc1-c1ccc(Br)cc1.O=[N+]([O-])c1ccccc1-c1ccccc1.O=[N+]([O-])c1ccccc1Br.OB(O)c1ccc2c3ccccc3n(-c3ccccc3)c2c1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5[nH]c6ccccc6c5c4)cc32)cc1.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C30H20N2.C18H14BNO2.C18H12BrN.2C13H9Br.C13H10.C12H8BrNO2.C12H9NO2.C6H4BrNO2/c1-2-8-22(9-3-1)32-29-13-7-5-11-24(29)25-16-14-21(19-30(25)32)20-15-17-28-26(18-20)23-10-4-6-12-27(23)31-28;21-19(22)13-10-11-16-15-8-4-5-9-17(15)20(18(16)12-13)14-6-2-1-3-7-14;19-13-10-11-16-15-8-4-5-9-17(15)20(18(16)12-13)14-6-2-1-3-7-14;14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13;14-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14(15)16;14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10;7-5-3-1-2-4-6(5)8(9)10/h1-19,31H;1-12,21-22H;1-12H;2*1-6,8H,7H2;1-8H,9H2;1-8H;1-9H;1-4H
InChIKeyUFRYAKOLPQFBQG-UHFFFAOYSA-N
XLogP37.04
TPSA200.46 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002353.62
LogP ≤ 537.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-11,11-dimethyl-5H-[1]benzosilolo[3,2-b]carbazole;2-bromo-11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazole;(5,5-dimethylbenzo[b][1]benzosilol-3-yl)boronic acid;11,11-dimethyl-5H-[1]benzosilolo[3,2-b]carbazole;5,5-dimethyl-3-(2-nitrophenyl)benzo[b][1]benzosilole;(11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazol-2-yl)boronic acid;9H-fluorene
CID 158822321
1-bromo-4-(4-iodophenyl)benzene;1-bromo-2-nitrobenzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-fluorene;1-nitro-2-phenylbenzene;phenylboronic acid;triphenylphosphane
CID 159136045
3-bromo-9H-fluorene;3-(9H-carbazol-3-yl)-9-(4-phenylphenyl)carbazole;[9-(4-phenylphenyl)carbazol-3-yl]boronic acid;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-pyridin-2-ylcarbazole
CID 162213717
2-bromo-9,9-dimethylfluorene;2-bromo-9-phenylcarbazole;9H-fluoren-3-ylboronic acid;bis(2-(9H-fluoren-3-yl)-9-phenylcarbazole)
CID 158945415
3-bromo-9H-fluorene;3-(9H-carbazol-3-yl)-9-phenylcarbazole;(2-chlorophenyl)boronic acid;3-[9-(3-chloroquinoxalin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2,3-dichloroquinoxaline;(9-phenylcarbazol-3-yl)boronic acid
CID 161133899
CID 158111814
CID 158111814
CID 158336108
CID 158336108
1-bromo-2-nitrobenzene;2-chloro-9H-fluorene;(4-chlorophenyl)boronic acid;1-(4-chlorophenyl)-2-nitrobenzene
CID 161458716
bromobenzene;5,11-dihydroindeno[1,2-b]carbazole;5,11-diphenylindolo[3,2-b]carbazole;iodobenzene;methane
CID 160665973
2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-N-phenylcarbazol-3-amine;N-(9H-fluoren-3-yl)-N-phenyl-9H-carbazol-3-amine
CID 158936176
1-bromo-2-nitrobenzene;butane;9H-carbazole;ethane;methane;1-nitro-2-phenylbenzene;phenylboronic acid;9-propylcarbazole;triphenylphosphane
CID 167563663
2-[9-(9H-fluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 121241600

Frequently Asked Questions

What is the IUPAC name of 2-bromo-9H-fluorene;3-bromo-9H-fluorene;1-bromo-2-nitrobenzene;2-bromo-9-phenylcarbazole;1-(4-bromophenyl)-2-nitrobenzene;2-(9H-carbazol-3-yl)-9-phenylcarbazole;9H-fluorene;1-nitro-2-phenylbenzene;(9-phenylcarbazol-2-yl)boronic acid?
The IUPAC name of 2-bromo-9H-fluorene;3-bromo-9H-fluorene;1-bromo-2-nitrobenzene;2-bromo-9-phenylcarbazole;1-(4-bromophenyl)-2-nitrobenzene;2-(9H-carbazol-3-yl)-9-phenylcarbazole;9H-fluorene;1-nitro-2-phenylbenzene;(9-phenylcarbazol-2-yl)boronic acid (CID 161079366) is 2-bromo-9H-fluorene;3-bromo-9H-fluorene;1-bromo-2-nitrobenzene;2-bromo-9-phenylcarbazole;1-(4-bromophenyl)-2-nitrobenzene;2-(9H-carbazol-3-yl)-9-phenylcarbazole;9H-fluorene;1-nitro-2-phenylbenzene;(9-phenylcarbazol-2-yl)boronic acid.
What is the SMILES notation for 2-bromo-9H-fluorene;3-bromo-9H-fluorene;1-bromo-2-nitrobenzene;2-bromo-9-phenylcarbazole;1-(4-bromophenyl)-2-nitrobenzene;2-(9H-carbazol-3-yl)-9-phenylcarbazole;9H-fluorene;1-nitro-2-phenylbenzene;(9-phenylcarbazol-2-yl)boronic acid?
The canonical SMILES for 2-bromo-9H-fluorene;3-bromo-9H-fluorene;1-bromo-2-nitrobenzene;2-bromo-9-phenylcarbazole;1-(4-bromophenyl)-2-nitrobenzene;2-(9H-carbazol-3-yl)-9-phenylcarbazole;9H-fluorene;1-nitro-2-phenylbenzene;(9-phenylcarbazol-2-yl)boronic acid is Brc1ccc2c(c1)-c1ccccc1C2.Brc1ccc2c(c1)Cc1ccccc1-2.Brc1ccc2c3ccccc3n(-c3ccccc3)c2c1.O=[N+]([O-])c1ccccc1-c1ccc(Br)cc1.O=[N+]([O-])c1ccccc1-c1ccccc1.O=[N+]([O-])c1ccccc1Br.OB(O)c1ccc2c3ccccc3n(-c3ccccc3)c2c1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5[nH]c6ccccc6c5c4)cc32)cc1.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 2-bromo-9H-fluorene;3-bromo-9H-fluorene;1-bromo-2-nitrobenzene;2-bromo-9-phenylcarbazole;1-(4-bromophenyl)-2-nitrobenzene;2-(9H-carbazol-3-yl)-9-phenylcarbazole;9H-fluorene;1-nitro-2-phenylbenzene;(9-phenylcarbazol-2-yl)boronic acid?
The InChIKey is UFRYAKOLPQFBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N2.C18H14BNO2.C18H12BrN.2C13H9Br.C13H10.C12H8BrNO2.C12H9NO2.C6H4BrNO2/c1-2-8-22(9-3-1)32-29-13-7-5-11-24(29)25-16-14-21(19-30(25)32)20-15-17-28-26(18-20)23-10-4-6-12-27(23)31-28;21-19(22)13-10-11-16-15-8-4-5-9-17(15)20(18(16)12-13)14-6-2-1-3-7-14;19-13-10-11-16-15-8-4-5-9-17(15)20(18(16)12-13)14-6-2-1-3-7-14;14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13;14-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14(15)16;14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10;7-5-3-1-2-4-6(5)8(9)10/h1-19,31H;1-12,21-22H;1-12H;2*1-6,8H,7H2;1-8H,9H2;1-8H;1-9H;1-4H.
What are the key properties of 2-bromo-9H-fluorene;3-bromo-9H-fluorene;1-bromo-2-nitrobenzene;2-bromo-9-phenylcarbazole;1-(4-bromophenyl)-2-nitrobenzene;2-(9H-carbazol-3-yl)-9-phenylcarbazole;9H-fluorene;1-nitro-2-phenylbenzene;(9-phenylcarbazol-2-yl)boronic acid?
2-bromo-9H-fluorene;3-bromo-9H-fluorene;1-bromo-2-nitrobenzene;2-bromo-9-phenylcarbazole;1-(4-bromophenyl)-2-nitrobenzene;2-(9H-carbazol-3-yl)-9-phenylcarbazole;9H-fluorene;1-nitro-2-phenylbenzene;(9-phenylcarbazol-2-yl)boronic acid has a molecular weight of 2353.62 g/mol, XLogP of 37.04, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9H-fluorene;3-bromo-9H-fluorene;1-bromo-2-nitrobenzene;2-bromo-9-phenylcarbazole;1-(4-bromophenyl)-2-nitrobenzene;2-(9H-carbazol-3-yl)-9-phenylcarbazole;9H-fluorene;1-nitro-2-phenylbenzene;(9-phenylcarbazol-2-yl)boronic acid is sourced from PubChem (CID 161079366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).