3-(1,3-dioxoisoindol-2-yl)propyl-[10-[3-(1,3-dioxoisoindol-2-yl)propyl-dimethylazaniumyl]decyl]-dimethylazanium dibromide

C36H52Br2N4O4 — CID 10509364

IUPAC3-(1,3-dioxoisoindol-2-yl)propyl-[10-[3-(1,3-dioxoisoindol-2-yl)propyl-dimethylazaniumyl]decyl]-dimethylazanium dibromide
SMILESC[N+](C)(CCCCCCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O.[Br-].[Br-]
InChIInChI=1S/C36H52N4O4.2BrH/c1-39(2,27-17-23-37-33(41)29-19-11-12-20-30(29)34(37)42)25-15-9-7-5-6-8-10-16-26-40(3,4)28-18-24-38-35(43)31-21-13-14-22-32(31)36(38)44;;/h11-14,19-22H,5-10,15-18,23-28H2,1-4H3;2*1H/q+2;;/p-2
InChIKeyKIQUBEVPRJBSFS-UHFFFAOYSA-L
MW764.64 g/mol
LogP-0.36
Rot. Bonds19

About 3-(1,3-dioxoisoindol-2-yl)propyl-[10-[3-(1,3-dioxoisoindol-2-yl)propyl-dimethylazaniumyl]decyl]-dimethylazanium dibromide

3-(1,3-dioxoisoindol-2-yl)propyl-[10-[3-(1,3-dioxoisoindol-2-yl)propyl-dimethylazaniumyl]decyl]-dimethylazanium dibromide (PubChem CID 10509364) has the molecular formula C36H52Br2N4O4 and a molecular weight of 764.64 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)propyl-[10-[3-(1,3-dioxoisoindol-2-yl)propyl-dimethylazaniumyl]decyl]-dimethylazanium dibromide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)propyl-[10-[3-(1,3-dioxoisoindol-2-yl)propyl-dimethylazaniumyl]decyl]-dimethylazanium dibromide
PubChem CID10509364
Molecular FormulaC36H52Br2N4O4
Molecular Weight764.64 g/mol
Exact Mass762.24
IUPAC Name3-(1,3-dioxoisoindol-2-yl)propyl-[10-[3-(1,3-dioxoisoindol-2-yl)propyl-dimethylazaniumyl]decyl]-dimethylazanium dibromide
SMILESC[N+](C)(CCCCCCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O.[Br-].[Br-]
InChIInChI=1S/C36H52N4O4.2BrH/c1-39(2,27-17-23-37-33(41)29-19-11-12-20-30(29)34(37)42)25-15-9-7-5-6-8-10-16-26-40(3,4)28-18-24-38-35(43)31-21-13-14-22-32(31)36(38)44;;/h11-14,19-22H,5-10,15-18,23-28H2,1-4H3;2*1H/q+2;;/p-2
InChIKeyKIQUBEVPRJBSFS-UHFFFAOYSA-L
XLogP-0.36
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500764.64
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)propyl-[10-[3-(1,3-dioxoisoindol-2-yl)propyl-dimethylazaniumyl]decyl]-dimethylazanium dibromide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)propyl-[10-[3-(1,3-dioxoisoindol-2-yl)propyl-dimethylazaniumyl]decyl]-dimethylazanium dibromide (CID 10509364) is 3-(1,3-dioxoisoindol-2-yl)propyl-[10-[3-(1,3-dioxoisoindol-2-yl)propyl-dimethylazaniumyl]decyl]-dimethylazanium dibromide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)propyl-[10-[3-(1,3-dioxoisoindol-2-yl)propyl-dimethylazaniumyl]decyl]-dimethylazanium dibromide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)propyl-[10-[3-(1,3-dioxoisoindol-2-yl)propyl-dimethylazaniumyl]decyl]-dimethylazanium dibromide is C[N+](C)(CCCCCCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O.[Br-].[Br-].
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)propyl-[10-[3-(1,3-dioxoisoindol-2-yl)propyl-dimethylazaniumyl]decyl]-dimethylazanium dibromide?
The InChIKey is KIQUBEVPRJBSFS-UHFFFAOYSA-L. The full InChI is InChI=1S/C36H52N4O4.2BrH/c1-39(2,27-17-23-37-33(41)29-19-11-12-20-30(29)34(37)42)25-15-9-7-5-6-8-10-16-26-40(3,4)28-18-24-38-35(43)31-21-13-14-22-32(31)36(38)44;;/h11-14,19-22H,5-10,15-18,23-28H2,1-4H3;2*1H/q+2;;/p-2.
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)propyl-[10-[3-(1,3-dioxoisoindol-2-yl)propyl-dimethylazaniumyl]decyl]-dimethylazanium dibromide?
3-(1,3-dioxoisoindol-2-yl)propyl-[10-[3-(1,3-dioxoisoindol-2-yl)propyl-dimethylazaniumyl]decyl]-dimethylazanium dibromide has a molecular weight of 764.64 g/mol, XLogP of -0.36, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)propyl-[10-[3-(1,3-dioxoisoindol-2-yl)propyl-dimethylazaniumyl]decyl]-dimethylazanium dibromide is sourced from PubChem (CID 10509364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).