benzene;copper(1+);[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-[2,4,6-tri(propan-2-yl)phenyl]azanide

C38H47CuF6N2 — CID 162414801

About benzene;copper(1+);[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-[2,4,6-tri(propan-2-yl)phenyl]azanide

benzene;copper(1+);[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-[2,4,6-tri(propan-2-yl)phenyl]azanide (PubChem CID 162414801) has the molecular formula C38H47CuF6N2 and a molecular weight of 709.34 g/mol. Its IUPAC name is benzene;copper(1+);[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-[2,4,6-tri(propan-2-yl)phenyl]azanide.

Molecular Properties

• Compound Name: benzene;copper(1+);[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-[2,4,6-tri(propan-2-yl)phenyl]azanide
• PubChem CID: 162414801
• Molecular Formula: C38H47CuF6N2
• Molecular Weight: 709.34 g/mol
• Exact Mass: 708.29
• IUPAC Name: benzene;copper(1+);[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-[2,4,6-tri(propan-2-yl)phenyl]azanide
• SMILES: CC(C)c1cc(C(C)C)c([N-]/C(=C\C(=N\c2c(C(C)C)cccc2C(C)C)C(F)(F)F)C(F)(F)F)c(C(C)C)c1.[Cu+].c1ccccc1
• InChI: InChI=1S/C32H41F6N2.C6H6.Cu/c1-17(2)22-14-25(20(7)8)30(26(15-22)21(9)10)40-28(32(36,37)38)16-27(31(33,34)35)39-29-23(18(3)4)12-11-13-24(29)19(5)6;1-2-4-6-5-3-1;/h11-21H,1-10H3;1-6H;/q-1;;+1/b28-16-,39-27-
• InChIKey: DFUJUCQOXFMIKJ-GRDOMTGLSA-N
• XLogP: 13.77
• TPSA: 26.46 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	709.34
LogP ≤ 5	13.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzene;copper(1+);[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-[2,4,6-tri(propan-2-yl)phenyl]azanide?

The IUPAC name of benzene;copper(1+);[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-[2,4,6-tri(propan-2-yl)phenyl]azanide (CID 162414801) is benzene;copper(1+);[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-[2,4,6-tri(propan-2-yl)phenyl]azanide.

What is the SMILES notation for benzene;copper(1+);[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-[2,4,6-tri(propan-2-yl)phenyl]azanide?

The canonical SMILES for benzene;copper(1+);[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-[2,4,6-tri(propan-2-yl)phenyl]azanide is CC(C)c1cc(C(C)C)c([N-]/C(=C\C(=N\c2c(C(C)C)cccc2C(C)C)C(F)(F)F)C(F)(F)F)c(C(C)C)c1.[Cu+].c1ccccc1.

What is the InChIKey of benzene;copper(1+);[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-[2,4,6-tri(propan-2-yl)phenyl]azanide?

The InChIKey is DFUJUCQOXFMIKJ-GRDOMTGLSA-N. The full InChI is InChI=1S/C32H41F6N2.C6H6.Cu/c1-17(2)22-14-25(20(7)8)30(26(15-22)21(9)10)40-28(32(36,37)38)16-27(31(33,34)35)39-29-23(18(3)4)12-11-13-24(29)19(5)6;1-2-4-6-5-3-1;/h11-21H,1-10H3;1-6H;/q-1;;+1/b28-16-,39-27-;;.

What are the key properties of benzene;copper(1+);[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-[2,4,6-tri(propan-2-yl)phenyl]azanide?

benzene;copper(1+);[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-[2,4,6-tri(propan-2-yl)phenyl]azanide has a molecular weight of 709.34 g/mol, XLogP of 13.77, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;copper(1+);[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-[2,4,6-tri(propan-2-yl)phenyl]azanide is sourced from PubChem (CID 162414801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).