copper(1+);2,3,4,7,8-pentamethyl-1,10-phenanthroline

C17H18CuN2+ — CID 21144970

IUPACcopper(1+);2,3,4,7,8-pentamethyl-1,10-phenanthroline
SMILESCc1cnc2c(ccc3c(C)c(C)c(C)nc32)c1C.[Cu+]
InChIInChI=1S/C17H18N2.Cu/c1-9-8-18-16-14(10(9)2)6-7-15-12(4)11(3)13(5)19-17(15)16;/h6-8H,1-5H3;/q;+1
InChIKeyJTMNNVOXZVGHNO-UHFFFAOYSA-N
MW313.89 g/mol
LogP4.32
Rot. Bonds

About copper(1+);2,3,4,7,8-pentamethyl-1,10-phenanthroline

copper(1+);2,3,4,7,8-pentamethyl-1,10-phenanthroline (PubChem CID 21144970) has the molecular formula C17H18CuN2+ and a molecular weight of 313.89 g/mol. Its IUPAC name is copper(1+);2,3,4,7,8-pentamethyl-1,10-phenanthroline.

Molecular Properties

Compound Namecopper(1+);2,3,4,7,8-pentamethyl-1,10-phenanthroline
PubChem CID21144970
Molecular FormulaC17H18CuN2+
Molecular Weight313.89 g/mol
Exact Mass313.08
IUPAC Namecopper(1+);2,3,4,7,8-pentamethyl-1,10-phenanthroline
SMILESCc1cnc2c(ccc3c(C)c(C)c(C)nc32)c1C.[Cu+]
InChIInChI=1S/C17H18N2.Cu/c1-9-8-18-16-14(10(9)2)6-7-15-12(4)11(3)13(5)19-17(15)16;/h6-8H,1-5H3;/q;+1
InChIKeyJTMNNVOXZVGHNO-UHFFFAOYSA-N
XLogP4.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.89
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4,7,8-tetramethyl-1,10-phenanthroline
CID 10108527
azanide;dichloroplatinum;3,4,7,8-tetramethyl-1,10-phenanthroline
CID 23597304
bis(2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene);ruthenium;hexakis(3,4,7,8-tetramethyl-1,10-phenanthroline)
CID 165088824
3,4,7,8-tetramethyl-2-(7-naphthalen-1-ylnaphthalen-2-yl)-1,10-phenanthroline
CID 175634995
2,3-dipyridin-2-ylpyrazine;ethane;3,4,7,8-tetramethyl-1,10-phenanthroline
CID 144711240
3,4,7,8-tetramethyl-2-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline
CID 175635001
3,4,7-trimethyl-8-[2-(8-methyl-1,10-phenanthrolin-3-yl)ethyl]-1,10-phenanthroline
CID 123787432
2,3,4,5-tetramethylpyridine;hydrate
CID 175106370
3,5,6,7-tetramethylpyrazino[2,3-f][1,10]phenanthroline
CID 157282596
2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;tetrakis(2,3,4,5,6,7,8,9-octamethyl-1,10-phenanthroline);bis(ruthenium(2+))
CID 45256437
2-[5-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-3,4,7,8-tetramethyl-1,10-phenanthroline
CID 175635268
molecular hydrogen;2,3,4,5-tetramethylpyridine
CID 174963511

Frequently Asked Questions

What is the IUPAC name of copper(1+);2,3,4,7,8-pentamethyl-1,10-phenanthroline?
The IUPAC name of copper(1+);2,3,4,7,8-pentamethyl-1,10-phenanthroline (CID 21144970) is copper(1+);2,3,4,7,8-pentamethyl-1,10-phenanthroline.
What is the SMILES notation for copper(1+);2,3,4,7,8-pentamethyl-1,10-phenanthroline?
The canonical SMILES for copper(1+);2,3,4,7,8-pentamethyl-1,10-phenanthroline is Cc1cnc2c(ccc3c(C)c(C)c(C)nc32)c1C.[Cu+].
What is the InChIKey of copper(1+);2,3,4,7,8-pentamethyl-1,10-phenanthroline?
The InChIKey is JTMNNVOXZVGHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2.Cu/c1-9-8-18-16-14(10(9)2)6-7-15-12(4)11(3)13(5)19-17(15)16;/h6-8H,1-5H3;/q;+1.
What are the key properties of copper(1+);2,3,4,7,8-pentamethyl-1,10-phenanthroline?
copper(1+);2,3,4,7,8-pentamethyl-1,10-phenanthroline has a molecular weight of 313.89 g/mol, XLogP of 4.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);2,3,4,7,8-pentamethyl-1,10-phenanthroline is sourced from PubChem (CID 21144970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).