2,2,3,3-tetramethyl-1-triphenylen-2-ylborirane

C24H23B — CID 174103217

IUPAC2,2,3,3-tetramethyl-1-triphenylen-2-ylborirane
SMILESCC1(C)B(c2ccc3c4ccccc4c4ccccc4c3c2)C1(C)C
InChIInChI=1S/C24H23B/c1-23(2)24(3,4)25(23)16-13-14-21-19-11-6-5-9-17(19)18-10-7-8-12-20(18)22(21)15-16/h5-15H,1-4H3
InChIKeyLKAIIBKOLUPHTF-UHFFFAOYSA-N
MW322.26 g/mol
LogP6.42
Rot. Bonds1

About 2,2,3,3-tetramethyl-1-triphenylen-2-ylborirane

2,2,3,3-tetramethyl-1-triphenylen-2-ylborirane (PubChem CID 174103217) has the molecular formula C24H23B and a molecular weight of 322.26 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-1-triphenylen-2-ylborirane.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-1-triphenylen-2-ylborirane
PubChem CID174103217
Molecular FormulaC24H23B
Molecular Weight322.26 g/mol
Exact Mass322.19
IUPAC Name2,2,3,3-tetramethyl-1-triphenylen-2-ylborirane
SMILESCC1(C)B(c2ccc3c4ccccc4c4ccccc4c3c2)C1(C)C
InChIInChI=1S/C24H23B/c1-23(2)24(3,4)25(23)16-13-14-21-19-11-6-5-9-17(19)18-10-7-8-12-20(18)22(21)15-16/h5-15H,1-4H3
InChIKeyLKAIIBKOLUPHTF-UHFFFAOYSA-N
XLogP6.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.26
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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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
4,5,5-trimethyl-4-methyl-2-triphenylen-2-yl-1,3,2-dioxaborolane
CID 140705394
10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthro[9,10-b]pyrazine
CID 154011907
[10-phosphanyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthren-9-yl]phosphane
CID 89344875
2-[6,12-bis(2,6-dimethylphenyl)chrysen-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 58501190
1,3,9-triphenyl-7-(2,2,3,3-tetramethylboriran-1-yl)carbazole
CID 145109855
2,7-dimethyltriphenylene
CID 23261750
2,2,3,3-tetramethyl-1-[4-(4-methylphenyl)phenyl]borirane
CID 145390195
9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]chromen-6-one
CID 140838592
4,4,5,5-tetramethyl-2-[4-(8-triphenylen-2-yldibenzofuran-2-yl)phenyl]-1,3,2-dioxaborolane
CID 163974886
ethane;2-methyltriphenylene
CID 91569125
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

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-1-triphenylen-2-ylborirane?
The IUPAC name of 2,2,3,3-tetramethyl-1-triphenylen-2-ylborirane (CID 174103217) is 2,2,3,3-tetramethyl-1-triphenylen-2-ylborirane.
What is the SMILES notation for 2,2,3,3-tetramethyl-1-triphenylen-2-ylborirane?
The canonical SMILES for 2,2,3,3-tetramethyl-1-triphenylen-2-ylborirane is CC1(C)B(c2ccc3c4ccccc4c4ccccc4c3c2)C1(C)C.
What is the InChIKey of 2,2,3,3-tetramethyl-1-triphenylen-2-ylborirane?
The InChIKey is LKAIIBKOLUPHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23B/c1-23(2)24(3,4)25(23)16-13-14-21-19-11-6-5-9-17(19)18-10-7-8-12-20(18)22(21)15-16/h5-15H,1-4H3.
What are the key properties of 2,2,3,3-tetramethyl-1-triphenylen-2-ylborirane?
2,2,3,3-tetramethyl-1-triphenylen-2-ylborirane has a molecular weight of 322.26 g/mol, XLogP of 6.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-1-triphenylen-2-ylborirane is sourced from PubChem (CID 174103217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).