10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthro[9,10-b]pyrazine

C22H21BN2O2 — CID 154011907

IUPAC10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthro[9,10-b]pyrazine
SMILESCC1(C)OB(c2ccc3c(c2)c2ccccc2c2nccnc32)OC1(C)C
InChIInChI=1S/C22H21BN2O2/c1-21(2)22(3,4)27-23(26-21)14-9-10-17-18(13-14)15-7-5-6-8-16(15)19-20(17)25-12-11-24-19/h5-13H,1-4H3
InChIKeyZLVHTQSRHQPCJG-UHFFFAOYSA-N
MW356.23 g/mol
LogP4.24
Rot. Bonds1

About 10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthro[9,10-b]pyrazine

10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthro[9,10-b]pyrazine (PubChem CID 154011907) has the molecular formula C22H21BN2O2 and a molecular weight of 356.23 g/mol. Its IUPAC name is 10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthro[9,10-b]pyrazine
PubChem CID154011907
Molecular FormulaC22H21BN2O2
Molecular Weight356.23 g/mol
Exact Mass356.17
IUPAC Name10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthro[9,10-b]pyrazine
SMILESCC1(C)OB(c2ccc3c(c2)c2ccccc2c2nccnc32)OC1(C)C
InChIInChI=1S/C22H21BN2O2/c1-21(2)22(3,4)27-23(26-21)14-9-10-17-18(13-14)15-7-5-6-8-16(15)19-20(17)25-12-11-24-19/h5-13H,1-4H3
InChIKeyZLVHTQSRHQPCJG-UHFFFAOYSA-N
XLogP4.24
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.23
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthro[9,10-b]pyrazine 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

4,4,5,5-tetramethyl-2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triphenylen-2-yl]-1,3,2-dioxaborolane
CID 58174852
[10-phosphanyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthren-9-yl]phosphane
CID 89344875
4,5,5-trimethyl-4-methyl-2-triphenylen-2-yl-1,3,2-dioxaborolane
CID 140705394
2-[6,12-bis(2,6-dimethylphenyl)chrysen-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 58501190
9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]chromen-6-one
CID 140838592
5-bromoquinoline;4,4,5,5-tetramethyl-2-triphenylen-2-yl-1,3,2-dioxaborolane;5-triphenylen-2-ylquinoline;iodide
CID 158456131
2-(4-bromo-2,5-dimethylphenyl)triphenylene;1,4-dibromo-2,5-dimethylbenzene;4,4,5,5-tetramethyl-2-triphenylen-2-yl-1,3,2-dioxaborolane
CID 157477804
5-phenyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[3,2-b]indole
CID 67094792
4,4,5,5-tetramethyl-2-(8-naphthalen-1-ylnaphthalen-2-yl)-1,3,2-dioxaborolane
CID 176598706
4,4,5,5-tetramethyl-2-[4-(8-triphenylen-2-yldibenzofuran-2-yl)phenyl]-1,3,2-dioxaborolane
CID 163974886
4,4,5,5-tetramethyl-2-(21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)-1,3,2-dioxaborolane
CID 140850275
4,5-bis(trideuteriomethyl)-2-triphenylen-2-ylpyridine;2-bromo-4,5-bis(trideuteriomethyl)pyridine;4,4,5,5-tetramethyl-2-triphenylen-2-yl-1,3,2-dioxaborolane
CID 158959235

Frequently Asked Questions

What is the IUPAC name of 10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthro[9,10-b]pyrazine?
The IUPAC name of 10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthro[9,10-b]pyrazine (CID 154011907) is 10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthro[9,10-b]pyrazine?
The canonical SMILES for 10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthro[9,10-b]pyrazine is CC1(C)OB(c2ccc3c(c2)c2ccccc2c2nccnc32)OC1(C)C.
What is the InChIKey of 10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthro[9,10-b]pyrazine?
The InChIKey is ZLVHTQSRHQPCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BN2O2/c1-21(2)22(3,4)27-23(26-21)14-9-10-17-18(13-14)15-7-5-6-8-16(15)19-20(17)25-12-11-24-19/h5-13H,1-4H3.
What are the key properties of 10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthro[9,10-b]pyrazine?
10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthro[9,10-b]pyrazine has a molecular weight of 356.23 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 154011907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).