1,2,3,4,5,6,8-heptadeuterio-9-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole

C24H24BNO2 — CID 177280461

IUPAC1,2,3,4,5,6,8-heptadeuterio-9-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c(B3OC(C)(C)C(C)(C)O3)c([2H])c1n2-c1ccccc1
InChIInChI=1S/C24H24BNO2/c1-23(2)24(3,4)28-25(27-23)17-14-15-20-19-12-8-9-13-21(19)26(22(20)16-17)18-10-6-5-7-11-18/h5-16H,1-4H3/i8D,9D,12D,13D,14D,15D,16D
InChIKeyWUXIRZBTTICLCG-WMRZYXENSA-N
MW376.32 g/mol
LogP5.08
Rot. Bonds2

About 1,2,3,4,5,6,8-heptadeuterio-9-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole

1,2,3,4,5,6,8-heptadeuterio-9-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole (PubChem CID 177280461) has the molecular formula C24H24BNO2 and a molecular weight of 376.32 g/mol. Its IUPAC name is 1,2,3,4,5,6,8-heptadeuterio-9-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole.

Molecular Properties

Compound Name1,2,3,4,5,6,8-heptadeuterio-9-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
PubChem CID177280461
Molecular FormulaC24H24BNO2
Molecular Weight376.32 g/mol
Exact Mass376.23
IUPAC Name1,2,3,4,5,6,8-heptadeuterio-9-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c(B3OC(C)(C)C(C)(C)O3)c([2H])c1n2-c1ccccc1
InChIInChI=1S/C24H24BNO2/c1-23(2)24(3,4)28-25(27-23)17-14-15-20-19-12-8-9-13-21(19)26(22(20)16-17)18-10-6-5-7-11-18/h5-16H,1-4H3/i8D,9D,12D,13D,14D,15D,16D
InChIKeyWUXIRZBTTICLCG-WMRZYXENSA-N
XLogP5.08
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.32
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,2,3,4,5,6,8-heptadeuterio-9-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3,4,5,7,8-heptadeuterio-9-phenylcarbazole
CID 164843391
1,2,3,4,5,7,8-heptadeuterio-6-methyl-9-phenylcarbazole
CID 171461467
1,2,3,4,5,6,8-heptadeuterio-9-(4-deuteriophenyl)-7-[1,2,3,4,5,7,8-heptadeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-3-yl)carbazol-9-yl]carbazole
CID 167377854
1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(4-deuteriophenyl)carbazol-3-yl]-9-phenylcarbazole
CID 172511986
2-bromo-1,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole
CID 177269978
1,2,3,4,5,6,8-heptadeuterio-7-[1,2,4,5,6,7-hexadeuterio-9-(1,2,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole
CID 177280510
1,2,3,4,5,7,8-heptadeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 164788730
5-phenyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[3,2-b]indole
CID 67094792
1,2,3,4,5,6,8-heptadeuterio-7-(1,3,4,5,6,7,8-heptadeuterio-9H-carbazol-2-yl)-9-phenylcarbazole
CID 177280472
2-[1,2,4,6,7,8-hexadeuterio-9-(4-phenylphenyl)dibenzofuran-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 177107419
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 145257430
10-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)acridin-9-one
CID 89182990

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,8-heptadeuterio-9-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
The IUPAC name of 1,2,3,4,5,6,8-heptadeuterio-9-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole (CID 177280461) is 1,2,3,4,5,6,8-heptadeuterio-9-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole.
What is the SMILES notation for 1,2,3,4,5,6,8-heptadeuterio-9-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
The canonical SMILES for 1,2,3,4,5,6,8-heptadeuterio-9-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c(B3OC(C)(C)C(C)(C)O3)c([2H])c1n2-c1ccccc1.
What is the InChIKey of 1,2,3,4,5,6,8-heptadeuterio-9-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
The InChIKey is WUXIRZBTTICLCG-WMRZYXENSA-N. The full InChI is InChI=1S/C24H24BNO2/c1-23(2)24(3,4)28-25(27-23)17-14-15-20-19-12-8-9-13-21(19)26(22(20)16-17)18-10-6-5-7-11-18/h5-16H,1-4H3/i8D,9D,12D,13D,14D,15D,16D.
What are the key properties of 1,2,3,4,5,6,8-heptadeuterio-9-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
1,2,3,4,5,6,8-heptadeuterio-9-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole has a molecular weight of 376.32 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,8-heptadeuterio-9-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole is sourced from PubChem (CID 177280461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).