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

C113H76B2BrCl4N9O4 — CID 161133899

IUPAC3-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
SMILESBrc1ccc2c(c1)-c1ccccc1C2.Clc1nc2ccccc2nc1-n1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21.Clc1nc2ccccc2nc1Cl.OB(O)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.OB(O)c1ccccc1Cl.c1ccc(-n2c3ccccc3c3cc(-c4ccc5[nH]c6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C38H23ClN4.C30H20N2.C18H14BNO2.C13H9Br.C8H4Cl2N2.C6H6BClO2/c39-37-38(41-32-15-7-6-14-31(32)40-37)43-34-17-9-5-13-28(34)30-23-25(19-21-36(30)43)24-18-20-35-29(22-24)27-12-4-8-16-33(27)42(35)26-10-2-1-3-11-26;1-2-8-22(9-3-1)32-29-13-7-5-11-24(29)26-19-21(15-17-30(26)32)20-14-16-28-25(18-20)23-10-4-6-12-27(23)31-28;21-19(22)13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14;14-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11;9-7-8(10)12-6-4-2-1-3-5(6)11-7;8-6-4-2-1-3-5(6)7(9)10/h1-23H;1-19,31H;1-12,21-22H;1-6,8H,7H2;1-4H;1-4,9-10H
InChIKeyUMNUOUOZWHVOKP-UHFFFAOYSA-N
MW1867.25 g/mol
LogP27.67
Rot. Bonds8

About 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

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 (PubChem CID 161133899) has the molecular formula C113H76B2BrCl4N9O4 and a molecular weight of 1867.25 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID161133899
Molecular FormulaC113H76B2BrCl4N9O4
Molecular Weight1867.25 g/mol
Exact Mass1863.41
IUPAC Name3-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
SMILESBrc1ccc2c(c1)-c1ccccc1C2.Clc1nc2ccccc2nc1-n1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21.Clc1nc2ccccc2nc1Cl.OB(O)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.OB(O)c1ccccc1Cl.c1ccc(-n2c3ccccc3c3cc(-c4ccc5[nH]c6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C38H23ClN4.C30H20N2.C18H14BNO2.C13H9Br.C8H4Cl2N2.C6H6BClO2/c39-37-38(41-32-15-7-6-14-31(32)40-37)43-34-17-9-5-13-28(34)30-23-25(19-21-36(30)43)24-18-20-35-29(22-24)27-12-4-8-16-33(27)42(35)26-10-2-1-3-11-26;1-2-8-22(9-3-1)32-29-13-7-5-11-24(29)26-19-21(15-17-30(26)32)20-14-16-28-25(18-20)23-10-4-6-12-27(23)31-28;21-19(22)13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14;14-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11;9-7-8(10)12-6-4-2-1-3-5(6)11-7;8-6-4-2-1-3-5(6)7(9)10/h1-23H;1-19,31H;1-12,21-22H;1-6,8H,7H2;1-4H;1-4,9-10H
InChIKeyUMNUOUOZWHVOKP-UHFFFAOYSA-N
XLogP27.67
TPSA167.99 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001867.25
LogP ≤ 527.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
CID 158111814
CID 158111814
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
3-[9-(3-chloroquinoxalin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118492932
3-bromo-6,9-diphenylcarbazole;3-(9H-carbazol-3-yl)-6,9-diphenylcarbazole;3,6-dibromo-9-phenylcarbazole;(6,9-diphenylcarbazol-3-yl)boronic acid;3,9-diphenyl-6-[9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazol-3-yl]carbazole
CID 159531032
2-(4-bromophenyl)-3-phenylquinoxaline;3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazole
CID 159932179
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
3-[9-(3-chloroquinoxalin-2-yl)carbazol-2-yl]-9-phenylcarbazole
CID 121263635
2-bromo-4,6-diphenylpyridine;3-bromo-9H-fluorene;3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 158046446
2-bromo-9,9-dimethylfluorene;2-bromo-9-phenylcarbazole;9H-fluoren-3-ylboronic acid;bis(2-(9H-fluoren-3-yl)-9-phenylcarbazole)
CID 158945415
10-bromo-5,7-dihydroindolo[2,3-c]quinolin-6-one;(9-phenylcarbazol-3-yl)boronic acid;10-(9-phenylcarbazol-3-yl)-5,7-dihydroindolo[2,3-c]quinolin-6-one
CID 165079482
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Brc1ccc2c(c1)-c1ccccc1C2.Clc1nc2ccccc2nc1-n1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21.Clc1nc2ccccc2nc1Cl.OB(O)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.OB(O)c1ccccc1Cl.c1ccc(-n2c3ccccc3c3cc(-c4ccc5[nH]c6ccccc6c5c4)ccc32)cc1.
What is the InChIKey of 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?
The InChIKey is UMNUOUOZWHVOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23ClN4.C30H20N2.C18H14BNO2.C13H9Br.C8H4Cl2N2.C6H6BClO2/c39-37-38(41-32-15-7-6-14-31(32)40-37)43-34-17-9-5-13-28(34)30-23-25(19-21-36(30)43)24-18-20-35-29(22-24)27-12-4-8-16-33(27)42(35)26-10-2-1-3-11-26;1-2-8-22(9-3-1)32-29-13-7-5-11-24(29)26-19-21(15-17-30(26)32)20-14-16-28-25(18-20)23-10-4-6-12-27(23)31-28;21-19(22)13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14;14-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11;9-7-8(10)12-6-4-2-1-3-5(6)11-7;8-6-4-2-1-3-5(6)7(9)10/h1-23H;1-19,31H;1-12,21-22H;1-6,8H,7H2;1-4H;1-4,9-10H.
What are the key properties of 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?
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 has a molecular weight of 1867.25 g/mol, XLogP of 27.67, 8 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161133899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).