benzene;bis(N-[2,6-di(propan-2-yl)phenyl]-1-[7-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-1,8-naphthyridin-2-yl]ethanimine);nickel;dibromide

C78H94Br2N8Ni4-2 — CID 139142390

About benzene;bis(N-[2,6-di(propan-2-yl)phenyl]-1-[7-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-1,8-naphthyridin-2-yl]ethanimine);nickel;dibromide

benzene;bis(N-[2,6-di(propan-2-yl)phenyl]-1-[7-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-1,8-naphthyridin-2-yl]ethanimine);nickel;dibromide (PubChem CID 139142390) has the molecular formula C78H94Br2N8Ni4-2 and a molecular weight of 1538.25 g/mol. Its IUPAC name is benzene;bis(N-[2,6-di(propan-2-yl)phenyl]-1-[7-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-1,8-naphthyridin-2-yl]ethanimine);nickel;dibromide.

Molecular Properties

• Compound Name: benzene;bis(N-[2,6-di(propan-2-yl)phenyl]-1-[7-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-1,8-naphthyridin-2-yl]ethanimine);nickel;dibromide
• PubChem CID: 139142390
• Molecular Formula: C78H94Br2N8Ni4-2
• Molecular Weight: 1538.25 g/mol
• Exact Mass: 1532.34
• IUPAC Name: benzene;bis(N-[2,6-di(propan-2-yl)phenyl]-1-[7-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-1,8-naphthyridin-2-yl]ethanimine);nickel;dibromide
• SMILES: C/C(=N\c1c(C(C)C)cccc1C(C)C)c1ccc2ccc(/C(C)=N/c3c(C(C)C)cccc3C(C)C)nc2n1.C/C(=N\c1c(C(C)C)cccc1C(C)C)c1ccc2ccc(/C(C)=N/c3c(C(C)C)cccc3C(C)C)nc2n1.[Br-].[Br-].[Ni].[Ni].[Ni].[Ni].c1ccccc1
• InChI: InChI=1S/2C36H44N4.C6H6.2BrH.4Ni/c2*1-21(2)28-13-11-14-29(22(3)4)34(28)37-25(9)32-19-17-27-18-20-33(40-36(27)39-32)26(10)38-35-30(23(5)6)15-12-16-31(35)24(7)8;1-2-4-6-5-3-1;;;;;;/h2*11-24H,1-10H3;1-6H;2*1H;;;;/p-2/b2*37-25+,38-26+
• InChIKey: JNCRWOFYVXFRCS-MALUXWRDSA-L
• XLogP: 16.49
• TPSA: 101.00 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1538.25
LogP ≤ 5	16.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzene;bis(N-[2,6-di(propan-2-yl)phenyl]-1-[7-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-1,8-naphthyridin-2-yl]ethanimine);nickel;dibromide?

The IUPAC name of benzene;bis(N-[2,6-di(propan-2-yl)phenyl]-1-[7-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-1,8-naphthyridin-2-yl]ethanimine);nickel;dibromide (CID 139142390) is benzene;bis(N-[2,6-di(propan-2-yl)phenyl]-1-[7-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-1,8-naphthyridin-2-yl]ethanimine);nickel;dibromide.

What is the SMILES notation for benzene;bis(N-[2,6-di(propan-2-yl)phenyl]-1-[7-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-1,8-naphthyridin-2-yl]ethanimine);nickel;dibromide?

The canonical SMILES for benzene;bis(N-[2,6-di(propan-2-yl)phenyl]-1-[7-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-1,8-naphthyridin-2-yl]ethanimine);nickel;dibromide is C/C(=N\c1c(C(C)C)cccc1C(C)C)c1ccc2ccc(/C(C)=N/c3c(C(C)C)cccc3C(C)C)nc2n1.C/C(=N\c1c(C(C)C)cccc1C(C)C)c1ccc2ccc(/C(C)=N/c3c(C(C)C)cccc3C(C)C)nc2n1.[Br-].[Br-].[Ni].[Ni].[Ni].[Ni].c1ccccc1.

What is the InChIKey of benzene;bis(N-[2,6-di(propan-2-yl)phenyl]-1-[7-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-1,8-naphthyridin-2-yl]ethanimine);nickel;dibromide?

The InChIKey is JNCRWOFYVXFRCS-MALUXWRDSA-L. The full InChI is InChI=1S/2C36H44N4.C6H6.2BrH.4Ni/c2*1-21(2)28-13-11-14-29(22(3)4)34(28)37-25(9)32-19-17-27-18-20-33(40-36(27)39-32)26(10)38-35-30(23(5)6)15-12-16-31(35)24(7)8;1-2-4-6-5-3-1;;;;;;/h2*11-24H,1-10H3;1-6H;2*1H;;;;/p-2/b2*37-25+,38-26+;;;;;;;.

What are the key properties of benzene;bis(N-[2,6-di(propan-2-yl)phenyl]-1-[7-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-1,8-naphthyridin-2-yl]ethanimine);nickel;dibromide?

benzene;bis(N-[2,6-di(propan-2-yl)phenyl]-1-[7-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-1,8-naphthyridin-2-yl]ethanimine);nickel;dibromide has a molecular weight of 1538.25 g/mol, XLogP of 16.49, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;bis(N-[2,6-di(propan-2-yl)phenyl]-1-[7-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-1,8-naphthyridin-2-yl]ethanimine);nickel;dibromide is sourced from PubChem (CID 139142390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).