[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]boronic acid

C27H22BNO2 — CID 90219546

IUPAC[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]boronic acid
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(B(O)O)ccc43)cc21
InChIInChI=1S/C27H22BNO2/c1-27(2)23-9-5-3-7-19(23)20-13-12-18(16-24(20)27)29-25-10-6-4-8-21(25)22-15-17(28(30)31)11-14-26(22)29/h3-16,30-31H,1-2H3
InChIKeyUKQWNEQRMXLJCK-UHFFFAOYSA-N
MW403.29 g/mol
LogP4.77
Rot. Bonds2

About [9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]boronic acid

[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]boronic acid (PubChem CID 90219546) has the molecular formula C27H22BNO2 and a molecular weight of 403.29 g/mol. Its IUPAC name is [9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]boronic acid.

Molecular Properties

Compound Name[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]boronic acid
PubChem CID90219546
Molecular FormulaC27H22BNO2
Molecular Weight403.29 g/mol
Exact Mass403.17
IUPAC Name[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]boronic acid
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(B(O)O)ccc43)cc21
InChIInChI=1S/C27H22BNO2/c1-27(2)23-9-5-3-7-19(23)20-13-12-18(16-24(20)27)29-25-10-6-4-8-21(25)22-15-17(28(30)31)11-14-26(22)29/h3-16,30-31H,1-2H3
InChIKeyUKQWNEQRMXLJCK-UHFFFAOYSA-N
XLogP4.77
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.29
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-9-(9,9-dimethylfluoren-2-yl)carbazole;[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]boronic acid
CID 158986771
2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole
CID 121274445
(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)boronic acid
CID 67701948
3-bromo-9-(9,9-dimethylfluoren-2-yl)carbazole
CID 89472048
9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole
CID 58676147
9-(9,9-dimethylfluoren-2-yl)carbazole;toluene
CID 145272995
3-[3-chloro-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole;(9,9-dimethylfluoren-2-yl)boronic acid;3-[3-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 159654738
9-(9,9-dimethylfluoren-2-yl)-14-(9,9-dimethylfluoren-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122595589
9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylcarbazol-3-yl]-6-naphthalen-2-ylcarbazole
CID 162081661
9-[9,9-dimethyl-7-(3-methylcarbazol-9-yl)fluoren-2-yl]-3-methylcarbazole
CID 86066589
[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]boronic acid
CID 123843821
9-(9,9-dimethylfluoren-2-yl)-2-triphenylen-2-ylcarbazole
CID 118919712

Frequently Asked Questions

What is the IUPAC name of [9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]boronic acid?
The IUPAC name of [9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]boronic acid (CID 90219546) is [9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]boronic acid.
What is the SMILES notation for [9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]boronic acid?
The canonical SMILES for [9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]boronic acid is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(B(O)O)ccc43)cc21.
What is the InChIKey of [9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]boronic acid?
The InChIKey is UKQWNEQRMXLJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22BNO2/c1-27(2)23-9-5-3-7-19(23)20-13-12-18(16-24(20)27)29-25-10-6-4-8-21(25)22-15-17(28(30)31)11-14-26(22)29/h3-16,30-31H,1-2H3.
What are the key properties of [9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]boronic acid?
[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]boronic acid has a molecular weight of 403.29 g/mol, XLogP of 4.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]boronic acid is sourced from PubChem (CID 90219546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).