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

C114H78BBrN6O2 — CID 162213717

IUPAC3-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
SMILESBrc1ccc2c(c1)-c1ccccc1C2.OB(O)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6[nH]c7ccccc7c6c5)ccc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccn5)ccc43)cc2)cc1
InChIInChI=1S/C41H27N3.C36H24N2.C24H18BNO2.C13H9Br/c1-2-10-28(11-3-1)29-17-21-32(22-18-29)43-37-14-6-4-12-33(37)35-26-30(19-23-39(35)43)31-20-24-40-36(27-31)34-13-5-7-15-38(34)44(40)41-16-8-9-25-42-41;1-2-8-24(9-3-1)25-14-18-28(19-15-25)38-35-13-7-5-11-30(35)32-23-27(17-21-36(32)38)26-16-20-34-31(22-26)29-10-4-6-12-33(29)37-34;27-25(28)19-12-15-24-22(16-19)21-8-4-5-9-23(21)26(24)20-13-10-18(11-14-20)17-6-2-1-3-7-17;14-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11/h1-27H;1-23,37H;1-16,27-28H;1-6,8H,7H2
InChIKeyZTESNROQKNNQLH-UHFFFAOYSA-N
MW1654.63 g/mol
LogP28.51
Rot. Bonds10

About 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

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 (PubChem CID 162213717) has the molecular formula C114H78BBrN6O2 and a molecular weight of 1654.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID162213717
Molecular FormulaC114H78BBrN6O2
Molecular Weight1654.63 g/mol
Exact Mass1652.55
IUPAC Name3-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
SMILESBrc1ccc2c(c1)-c1ccccc1C2.OB(O)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6[nH]c7ccccc7c6c5)ccc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccn5)ccc43)cc2)cc1
InChIInChI=1S/C41H27N3.C36H24N2.C24H18BNO2.C13H9Br/c1-2-10-28(11-3-1)29-17-21-32(22-18-29)43-37-14-6-4-12-33(37)35-26-30(19-23-39(35)43)31-20-24-40-36(27-31)34-13-5-7-15-38(34)44(40)41-16-8-9-25-42-41;1-2-8-24(9-3-1)25-14-18-28(19-15-25)38-35-13-7-5-11-30(35)32-23-27(17-21-36(32)38)26-16-20-34-31(22-26)29-10-4-6-12-33(29)37-34;27-25(28)19-12-15-24-22(16-19)21-8-4-5-9-23(21)26(24)20-13-10-18(11-14-20)17-6-2-1-3-7-17;14-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11/h1-27H;1-23,37H;1-16,27-28H;1-6,8H,7H2
InChIKeyZTESNROQKNNQLH-UHFFFAOYSA-N
XLogP28.51
TPSA88.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms124
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001654.63
LogP ≤ 528.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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-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
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
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-(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-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
9-[4-(9H-carbazol-3-yl)phenyl]-3,6-bis(2-phenylphenyl)carbazole
CID 59306592
2-bromo-9,9-dimethylfluorene;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole
CID 157054225
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-(4-phenylphenyl)carbazole;[9-(4-phenylphenyl)carbazol-3-yl]boronic acid;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-pyridin-2-ylcarbazole?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Brc1ccc2c(c1)-c1ccccc1C2.OB(O)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6[nH]c7ccccc7c6c5)ccc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccn5)ccc43)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is ZTESNROQKNNQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N3.C36H24N2.C24H18BNO2.C13H9Br/c1-2-10-28(11-3-1)29-17-21-32(22-18-29)43-37-14-6-4-12-33(37)35-26-30(19-23-39(35)43)31-20-24-40-36(27-31)34-13-5-7-15-38(34)44(40)41-16-8-9-25-42-41;1-2-8-24(9-3-1)25-14-18-28(19-15-25)38-35-13-7-5-11-30(35)32-23-27(17-21-36(32)38)26-16-20-34-31(22-26)29-10-4-6-12-33(29)37-34;27-25(28)19-12-15-24-22(16-19)21-8-4-5-9-23(21)26(24)20-13-10-18(11-14-20)17-6-2-1-3-7-17;14-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11/h1-27H;1-23,37H;1-16,27-28H;1-6,8H,7H2.
What are the key properties of 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?
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 has a molecular weight of 1654.63 g/mol, XLogP of 28.51, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162213717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).