10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthren-9-amine

C20H22BNO2 — CID 156705447

IUPAC10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthren-9-amine
SMILESCC1(C)OB(c2c(N)c3ccccc3c3ccccc23)OC1(C)C
InChIInChI=1S/C20H22BNO2/c1-19(2)20(3,4)24-21(23-19)17-15-11-7-5-9-13(15)14-10-6-8-12-16(14)18(17)22/h5-12H,22H2,1-4H3
InChIKeyFSKRCPNPFQBVJW-UHFFFAOYSA-N
MW319.21 g/mol
LogP3.87
Rot. Bonds1

About 10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthren-9-amine

10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthren-9-amine (PubChem CID 156705447) has the molecular formula C20H22BNO2 and a molecular weight of 319.21 g/mol. Its IUPAC name is 10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthren-9-amine.

Molecular Properties

Compound Name10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthren-9-amine
PubChem CID156705447
Molecular FormulaC20H22BNO2
Molecular Weight319.21 g/mol
Exact Mass319.17
IUPAC Name10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthren-9-amine
SMILESCC1(C)OB(c2c(N)c3ccccc3c3ccccc23)OC1(C)C
InChIInChI=1S/C20H22BNO2/c1-19(2)20(3,4)24-21(23-19)17-15-11-7-5-9-13(15)14-10-6-8-12-16(14)18(17)22/h5-12H,22H2,1-4H3
InChIKeyFSKRCPNPFQBVJW-UHFFFAOYSA-N
XLogP3.87
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.21
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3'-Dimethyl(1,1'-binaphthalene)-4,4'-diamine
CID 83166
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine
CID 53217195
2-Benzylnaphthalen-1-amine;hydrochloride
CID 45261779
2-Methyl-1-anthracenamine
CID 15716470
2-Phenylnaphthalen-1-amine
CID 300729
6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-amine
CID 58315915
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine
CID 139270028
7-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine
CID 162526804
4-Methyl-1-anthracenamine
CID 15716473
3-Methyl-2-anthracenamine
CID 15716482
4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 125452599
2-(4-Fluorophenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine
CID 154713242

Frequently Asked Questions

What is the IUPAC name of 10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthren-9-amine?
The IUPAC name of 10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthren-9-amine (CID 156705447) is 10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthren-9-amine.
What is the SMILES notation for 10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthren-9-amine?
The canonical SMILES for 10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthren-9-amine is CC1(C)OB(c2c(N)c3ccccc3c3ccccc23)OC1(C)C.
What is the InChIKey of 10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthren-9-amine?
The InChIKey is FSKRCPNPFQBVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BNO2/c1-19(2)20(3,4)24-21(23-19)17-15-11-7-5-9-13(15)14-10-6-8-12-16(14)18(17)22/h5-12H,22H2,1-4H3.
What are the key properties of 10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthren-9-amine?
10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthren-9-amine has a molecular weight of 319.21 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthren-9-amine is sourced from PubChem (CID 156705447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).