copper(1+);5,8-diphenylquinolino[3,2-c]acridine;2-(2,4,6-trimethylphenyl)-6-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine;tetrafluoroborate

C60H48BCuF4N4 — CID 139139221

IUPACcopper(1+);5,8-diphenylquinolino[3,2-c]acridine;2-(2,4,6-trimethylphenyl)-6-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine;tetrafluoroborate
SMILESCc1cc(C)c(-c2cccc(-c3cccc(-c4c(C)cc(C)cc4C)n3)n2)c(C)c1.F[B-](F)(F)F.[Cu+].c1ccc(-c2c3ccccc3nc3c2ccc2c(-c4ccccc4)c4ccccc4nc23)cc1
InChIInChI=1S/C32H20N2.C28H28N2.BF4.Cu/c1-3-11-21(12-4-1)29-23-15-7-9-17-27(23)33-31-25(29)19-20-26-30(22-13-5-2-6-14-22)24-16-8-10-18-28(24)34-32(26)31;1-17-13-19(3)27(20(4)14-17)25-11-7-9-23(29-25)24-10-8-12-26(30-24)28-21(5)15-18(2)16-22(28)6;2-1(3,4)5;/h1-20H;7-16H,1-6H3;;/q;;-1;+1
InChIKeyWCMFEQLTKSPKNO-UHFFFAOYSA-N
MW975.42 g/mol
LogP17.05
Rot. Bonds5

About copper(1+);5,8-diphenylquinolino[3,2-c]acridine;2-(2,4,6-trimethylphenyl)-6-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine;tetrafluoroborate

copper(1+);5,8-diphenylquinolino[3,2-c]acridine;2-(2,4,6-trimethylphenyl)-6-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine;tetrafluoroborate (PubChem CID 139139221) has the molecular formula C60H48BCuF4N4 and a molecular weight of 975.42 g/mol. Its IUPAC name is copper(1+);5,8-diphenylquinolino[3,2-c]acridine;2-(2,4,6-trimethylphenyl)-6-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine;tetrafluoroborate.

Molecular Properties

Compound Namecopper(1+);5,8-diphenylquinolino[3,2-c]acridine;2-(2,4,6-trimethylphenyl)-6-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine;tetrafluoroborate
PubChem CID139139221
Molecular FormulaC60H48BCuF4N4
Molecular Weight975.42 g/mol
Exact Mass974.32
IUPAC Namecopper(1+);5,8-diphenylquinolino[3,2-c]acridine;2-(2,4,6-trimethylphenyl)-6-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine;tetrafluoroborate
SMILESCc1cc(C)c(-c2cccc(-c3cccc(-c4c(C)cc(C)cc4C)n3)n2)c(C)c1.F[B-](F)(F)F.[Cu+].c1ccc(-c2c3ccccc3nc3c2ccc2c(-c4ccccc4)c4ccccc4nc23)cc1
InChIInChI=1S/C32H20N2.C28H28N2.BF4.Cu/c1-3-11-21(12-4-1)29-23-15-7-9-17-27(23)33-31-25(29)19-20-26-30(22-13-5-2-6-14-22)24-16-8-10-18-28(24)34-32(26)31;1-17-13-19(3)27(20(4)14-17)25-11-7-9-23(29-25)24-10-8-12-26(30-24)28-21(5)15-18(2)16-22(28)6;2-1(3,4)5;/h1-20H;7-16H,1-6H3;;/q;;-1;+1
InChIKeyWCMFEQLTKSPKNO-UHFFFAOYSA-N
XLogP17.05
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500975.42
LogP ≤ 517.05
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_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze copper(1+);5,8-diphenylquinolino[3,2-c]acridine;2-(2,4,6-trimethylphenyl)-6-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine;tetrafluoroborate with MolForge

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Frequently Asked Questions

What is the IUPAC name of copper(1+);5,8-diphenylquinolino[3,2-c]acridine;2-(2,4,6-trimethylphenyl)-6-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine;tetrafluoroborate?
The IUPAC name of copper(1+);5,8-diphenylquinolino[3,2-c]acridine;2-(2,4,6-trimethylphenyl)-6-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine;tetrafluoroborate (CID 139139221) is copper(1+);5,8-diphenylquinolino[3,2-c]acridine;2-(2,4,6-trimethylphenyl)-6-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine;tetrafluoroborate.
What is the SMILES notation for copper(1+);5,8-diphenylquinolino[3,2-c]acridine;2-(2,4,6-trimethylphenyl)-6-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine;tetrafluoroborate?
The canonical SMILES for copper(1+);5,8-diphenylquinolino[3,2-c]acridine;2-(2,4,6-trimethylphenyl)-6-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine;tetrafluoroborate is Cc1cc(C)c(-c2cccc(-c3cccc(-c4c(C)cc(C)cc4C)n3)n2)c(C)c1.F[B-](F)(F)F.[Cu+].c1ccc(-c2c3ccccc3nc3c2ccc2c(-c4ccccc4)c4ccccc4nc23)cc1.
What is the InChIKey of copper(1+);5,8-diphenylquinolino[3,2-c]acridine;2-(2,4,6-trimethylphenyl)-6-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine;tetrafluoroborate?
The InChIKey is WCMFEQLTKSPKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N2.C28H28N2.BF4.Cu/c1-3-11-21(12-4-1)29-23-15-7-9-17-27(23)33-31-25(29)19-20-26-30(22-13-5-2-6-14-22)24-16-8-10-18-28(24)34-32(26)31;1-17-13-19(3)27(20(4)14-17)25-11-7-9-23(29-25)24-10-8-12-26(30-24)28-21(5)15-18(2)16-22(28)6;2-1(3,4)5;/h1-20H;7-16H,1-6H3;;/q;;-1;+1.
What are the key properties of copper(1+);5,8-diphenylquinolino[3,2-c]acridine;2-(2,4,6-trimethylphenyl)-6-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine;tetrafluoroborate?
copper(1+);5,8-diphenylquinolino[3,2-c]acridine;2-(2,4,6-trimethylphenyl)-6-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine;tetrafluoroborate has a molecular weight of 975.42 g/mol, XLogP of 17.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);5,8-diphenylquinolino[3,2-c]acridine;2-(2,4,6-trimethylphenyl)-6-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine;tetrafluoroborate is sourced from PubChem (CID 139139221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).