2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,10-phenanthroline

C19H20N2O2 — CID 171054646

IUPAC2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,10-phenanthroline
SMILESCC1(C)OC(c2ccc3ccc4cccnc4c3n2)OC1(C)C
InChIInChI=1S/C19H20N2O2/c1-18(2)19(3,4)23-17(22-18)14-10-9-13-8-7-12-6-5-11-20-15(12)16(13)21-14/h5-11,17H,1-4H3
InChIKeyDXKNBHAHTTXURB-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.39
Rot. Bonds1

About 2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,10-phenanthroline

2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,10-phenanthroline (PubChem CID 171054646) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,10-phenanthroline
PubChem CID171054646
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,10-phenanthroline
SMILESCC1(C)OC(c2ccc3ccc4cccnc4c3n2)OC1(C)C
InChIInChI=1S/C19H20N2O2/c1-18(2)19(3,4)23-17(22-18)14-10-9-13-8-7-12-6-5-11-20-15(12)16(13)21-14/h5-11,17H,1-4H3
InChIKeyDXKNBHAHTTXURB-UHFFFAOYSA-N
XLogP4.39
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(1,10-phenanthroline);dihydrobromide
CID 70430219
1,10-phenanthroline;samarium
CID 174616745
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
2-[(1S,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]-1,10-phenanthroline
CID 101223235
2-(azetidin-3-yl)-1,10-phenanthroline;hydrochloride
CID 154791527
diiodo(dimethyl)stannane;1,10-phenanthroline
CID 4611650
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,10-phenanthroline
CID 58340445
2-[4,5-bis(trifluoromethyl)-2,3-dihydro-1H-imidazol-2-yl]-1,10-phenanthroline
CID 131966789

Frequently Asked Questions

What is the IUPAC name of 2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,10-phenanthroline?
The IUPAC name of 2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,10-phenanthroline (CID 171054646) is 2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,10-phenanthroline.
What is the SMILES notation for 2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,10-phenanthroline?
The canonical SMILES for 2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,10-phenanthroline is CC1(C)OC(c2ccc3ccc4cccnc4c3n2)OC1(C)C.
What is the InChIKey of 2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,10-phenanthroline?
The InChIKey is DXKNBHAHTTXURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-18(2)19(3,4)23-17(22-18)14-10-9-13-8-7-12-6-5-11-20-15(12)16(13)21-14/h5-11,17H,1-4H3.
What are the key properties of 2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,10-phenanthroline?
2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,10-phenanthroline has a molecular weight of 308.38 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,10-phenanthroline is sourced from PubChem (CID 171054646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).