(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)boronic acid

C27H22BNO2 — CID 67701948

IUPAC(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)boronic acid
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1cc(B(O)O)ccc1n3-c1ccccc1
InChIInChI=1S/C27H22BNO2/c1-27(2)23-11-7-6-10-19(23)20-16-26-22(15-24(20)27)21-14-17(28(30)31)12-13-25(21)29(26)18-8-4-3-5-9-18/h3-16,30-31H,1-2H3
InChIKeyXPTANWDBCGDXNK-UHFFFAOYSA-N
MW403.29 g/mol
LogP4.77
Rot. Bonds2

About (11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)boronic acid

(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)boronic acid (PubChem CID 67701948) has the molecular formula C27H22BNO2 and a molecular weight of 403.29 g/mol. Its IUPAC name is (11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)boronic acid.

Molecular Properties

Compound Name(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)boronic acid
PubChem CID67701948
Molecular FormulaC27H22BNO2
Molecular Weight403.29 g/mol
Exact Mass403.17
IUPAC Name(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)boronic acid
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1cc(B(O)O)ccc1n3-c1ccccc1
InChIInChI=1S/C27H22BNO2/c1-27(2)23-11-7-6-10-19(23)20-16-26-22(15-24(20)27)21-14-17(28(30)31)12-13-25(21)29(26)18-8-4-3-5-9-18/h3-16,30-31H,1-2H3
InChIKeyXPTANWDBCGDXNK-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

11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 58059223
[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]boronic acid
CID 90219546
[11,11-dimethyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]indeno[1,2-b]carbazol-2-yl]boronic acid
CID 67701227
3-bromo-9-(9,9-dimethylfluoren-2-yl)carbazole;[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]boronic acid
CID 158986771
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
11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 58059239
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
CID 88946984
CID 88946984
14-(1,1,2,2,3,3-hexamethyl-9-phenylcyclopenta[b]carbazol-6-yl)-10,10,18,18,19,19,20,20-octamethyl-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaene
CID 126598377
15-[4-(11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492388
2-(9,9-dimethylacridin-10-yl)-11,11-dimethyl-5-(4-methylphenyl)indeno[1,2-b]carbazole
CID 58501385
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164

Frequently Asked Questions

What is the IUPAC name of (11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)boronic acid?
The IUPAC name of (11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)boronic acid (CID 67701948) is (11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)boronic acid.
What is the SMILES notation for (11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)boronic acid?
The canonical SMILES for (11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)boronic acid is CC1(C)c2ccccc2-c2cc3c(cc21)c1cc(B(O)O)ccc1n3-c1ccccc1.
What is the InChIKey of (11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)boronic acid?
The InChIKey is XPTANWDBCGDXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22BNO2/c1-27(2)23-11-7-6-10-19(23)20-16-26-22(15-24(20)27)21-14-17(28(30)31)12-13-25(21)29(26)18-8-4-3-5-9-18/h3-16,30-31H,1-2H3.
What are the key properties of (11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)boronic acid?
(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-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 (11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)boronic acid is sourced from PubChem (CID 67701948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).