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

C139H117B2Br2N5O6Si6 — CID 158822321

IUPAC2-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
SMILESC[Si]1(C)c2ccccc2-c2cc3[nH]c4ccc(Br)cc4c3cc21.C[Si]1(C)c2ccccc2-c2cc3[nH]c4ccccc4c3cc21.C[Si]1(C)c2ccccc2-c2cc3c(cc21)c1cc(B(O)O)ccc1n3-c1ccccc1.C[Si]1(C)c2ccccc2-c2cc3c(cc21)c1cc(Br)ccc1n3-c1ccccc1.C[Si]1(C)c2ccccc2-c2ccc(-c3ccccc3[N+](=O)[O-])cc21.C[Si]1(C)c2ccccc2-c2ccc(B(O)O)cc21.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C26H22BNO2Si.C26H20BrNSi.C20H16BrNSi.C20H17NO2Si.C20H17NSi.C14H15BO2Si.C13H10/c1-31(2)25-11-7-6-10-19(25)22-15-24-21(16-26(22)31)20-14-17(27(29)30)12-13-23(20)28(24)18-8-4-3-5-9-18;1-29(2)25-11-7-6-10-19(25)22-15-24-21(16-26(22)29)20-14-17(27)12-13-23(20)28(24)18-8-4-3-5-9-18;1-23(2)19-6-4-3-5-13(19)16-10-18-15(11-20(16)23)14-9-12(21)7-8-17(14)22-18;1-24(2)19-10-6-4-8-16(19)17-12-11-14(13-20(17)24)15-7-3-5-9-18(15)21(22)23;1-22(2)19-10-6-4-8-14(19)16-11-18-15(12-20(16)22)13-7-3-5-9-17(13)21-18;1-18(2)13-6-4-3-5-11(13)12-8-7-10(15(16)17)9-14(12)18;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h3-16,29-30H,1-2H3;3-16H,1-2H3;3-11,22H,1-2H3;3-13H,1-2H3;3-12,21H,1-2H3;3-9,16-17H,1-2H3;1-8H,9H2
InChIKeyIWAIZDDJZKFKAX-UHFFFAOYSA-N
MW2303.44 g/mol
LogP26.12
Rot. Bonds6

About 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

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 (PubChem CID 158822321) has the molecular formula C139H117B2Br2N5O6Si6 and a molecular weight of 2303.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID158822321
Molecular FormulaC139H117B2Br2N5O6Si6
Molecular Weight2303.44 g/mol
Exact Mass2299.62
IUPAC Name2-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
SMILESC[Si]1(C)c2ccccc2-c2cc3[nH]c4ccc(Br)cc4c3cc21.C[Si]1(C)c2ccccc2-c2cc3[nH]c4ccccc4c3cc21.C[Si]1(C)c2ccccc2-c2cc3c(cc21)c1cc(B(O)O)ccc1n3-c1ccccc1.C[Si]1(C)c2ccccc2-c2cc3c(cc21)c1cc(Br)ccc1n3-c1ccccc1.C[Si]1(C)c2ccccc2-c2ccc(-c3ccccc3[N+](=O)[O-])cc21.C[Si]1(C)c2ccccc2-c2ccc(B(O)O)cc21.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C26H22BNO2Si.C26H20BrNSi.C20H16BrNSi.C20H17NO2Si.C20H17NSi.C14H15BO2Si.C13H10/c1-31(2)25-11-7-6-10-19(25)22-15-24-21(16-26(22)31)20-14-17(27(29)30)12-13-23(20)28(24)18-8-4-3-5-9-18;1-29(2)25-11-7-6-10-19(25)22-15-24-21(16-26(22)29)20-14-17(27)12-13-23(20)28(24)18-8-4-3-5-9-18;1-23(2)19-6-4-3-5-13(19)16-10-18-15(11-20(16)23)14-9-12(21)7-8-17(14)22-18;1-24(2)19-10-6-4-8-16(19)17-12-11-14(13-20(17)24)15-7-3-5-9-18(15)21(22)23;1-22(2)19-10-6-4-8-14(19)16-11-18-15(12-20(16)22)13-7-3-5-9-17(13)21-18;1-18(2)13-6-4-3-5-11(13)12-8-7-10(15(16)17)9-14(12)18;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h3-16,29-30H,1-2H3;3-16H,1-2H3;3-11,22H,1-2H3;3-13H,1-2H3;3-12,21H,1-2H3;3-9,16-17H,1-2H3;1-8H,9H2
InChIKeyIWAIZDDJZKFKAX-UHFFFAOYSA-N
XLogP26.12
TPSA165.50 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002303.44
LogP ≤ 526.12
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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'}

Analyze 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 with MolForge

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Related Compounds

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CID 161079366
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
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CID 158111814
CID 158111814
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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
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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
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CID 158936176

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[Si]1(C)c2ccccc2-c2cc3[nH]c4ccc(Br)cc4c3cc21.C[Si]1(C)c2ccccc2-c2cc3[nH]c4ccccc4c3cc21.C[Si]1(C)c2ccccc2-c2cc3c(cc21)c1cc(B(O)O)ccc1n3-c1ccccc1.C[Si]1(C)c2ccccc2-c2cc3c(cc21)c1cc(Br)ccc1n3-c1ccccc1.C[Si]1(C)c2ccccc2-c2ccc(-c3ccccc3[N+](=O)[O-])cc21.C[Si]1(C)c2ccccc2-c2ccc(B(O)O)cc21.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 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?
The InChIKey is IWAIZDDJZKFKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22BNO2Si.C26H20BrNSi.C20H16BrNSi.C20H17NO2Si.C20H17NSi.C14H15BO2Si.C13H10/c1-31(2)25-11-7-6-10-19(25)22-15-24-21(16-26(22)31)20-14-17(27(29)30)12-13-23(20)28(24)18-8-4-3-5-9-18;1-29(2)25-11-7-6-10-19(25)22-15-24-21(16-26(22)29)20-14-17(27)12-13-23(20)28(24)18-8-4-3-5-9-18;1-23(2)19-6-4-3-5-13(19)16-10-18-15(11-20(16)23)14-9-12(21)7-8-17(14)22-18;1-24(2)19-10-6-4-8-16(19)17-12-11-14(13-20(17)24)15-7-3-5-9-18(15)21(22)23;1-22(2)19-10-6-4-8-14(19)16-11-18-15(12-20(16)22)13-7-3-5-9-17(13)21-18;1-18(2)13-6-4-3-5-11(13)12-8-7-10(15(16)17)9-14(12)18;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h3-16,29-30H,1-2H3;3-16H,1-2H3;3-11,22H,1-2H3;3-13H,1-2H3;3-12,21H,1-2H3;3-9,16-17H,1-2H3;1-8H,9H2.
What are the key properties of 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?
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 has a molecular weight of 2303.44 g/mol, XLogP of 26.12, 6 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158822321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).