dizinc;tetrakis(pyridine);bis(2-(2,4,6-trimethylphenyl)-5-[2-[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide)

C78H84N8Zn2 — CID 139115762

IUPACdizinc;tetrakis(pyridine);bis(2-(2,4,6-trimethylphenyl)-5-[2-[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide)
SMILESCc1cc(C)c(-c2ccc(C(C)(C)c3ccc(-c4c(C)cc(C)cc4C)[n-]3)[n-]2)c(C)c1.Cc1cc(C)c(-c2ccc(C(C)(C)c3ccc(-c4c(C)cc(C)cc4C)[n-]3)[n-]2)c(C)c1.[Zn+2].[Zn+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C29H32N2.4C5H5N.2Zn/c2*1-17-13-19(3)27(20(4)14-17)23-9-11-25(30-23)29(7,8)26-12-10-24(31-26)28-21(5)15-18(2)16-22(28)6;4*1-2-4-6-5-3-1;;/h2*9-16H,1-8H3;4*1-5H;;/q2*-2;;;;;2*+2
InChIKeyXAYHKPGQAJJPHI-UHFFFAOYSA-N
MW1264.37 g/mol
LogP18.54
Rot. Bonds8

About dizinc;tetrakis(pyridine);bis(2-(2,4,6-trimethylphenyl)-5-[2-[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide)

dizinc;tetrakis(pyridine);bis(2-(2,4,6-trimethylphenyl)-5-[2-[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide) (PubChem CID 139115762) has the molecular formula C78H84N8Zn2 and a molecular weight of 1264.37 g/mol. Its IUPAC name is dizinc;tetrakis(pyridine);bis(2-(2,4,6-trimethylphenyl)-5-[2-[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide).

Molecular Properties

Compound Namedizinc;tetrakis(pyridine);bis(2-(2,4,6-trimethylphenyl)-5-[2-[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide)
PubChem CID139115762
Molecular FormulaC78H84N8Zn2
Molecular Weight1264.37 g/mol
Exact Mass1260.54
IUPAC Namedizinc;tetrakis(pyridine);bis(2-(2,4,6-trimethylphenyl)-5-[2-[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide)
SMILESCc1cc(C)c(-c2ccc(C(C)(C)c3ccc(-c4c(C)cc(C)cc4C)[n-]3)[n-]2)c(C)c1.Cc1cc(C)c(-c2ccc(C(C)(C)c3ccc(-c4c(C)cc(C)cc4C)[n-]3)[n-]2)c(C)c1.[Zn+2].[Zn+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C29H32N2.4C5H5N.2Zn/c2*1-17-13-19(3)27(20(4)14-17)23-9-11-25(30-23)29(7,8)26-12-10-24(31-26)28-21(5)15-18(2)16-22(28)6;4*1-2-4-6-5-3-1;;/h2*9-16H,1-8H3;4*1-5H;;/q2*-2;;;;;2*+2
InChIKeyXAYHKPGQAJJPHI-UHFFFAOYSA-N
XLogP18.54
TPSA107.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001264.37
LogP ≤ 518.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze dizinc;tetrakis(pyridine);bis(2-(2,4,6-trimethylphenyl)-5-[2-[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dizinc;tetrakis(pyridine);bis(2-(2,4,6-trimethylphenyl)-5-[2-[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide)?
The IUPAC name of dizinc;tetrakis(pyridine);bis(2-(2,4,6-trimethylphenyl)-5-[2-[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide) (CID 139115762) is dizinc;tetrakis(pyridine);bis(2-(2,4,6-trimethylphenyl)-5-[2-[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide).
What is the SMILES notation for dizinc;tetrakis(pyridine);bis(2-(2,4,6-trimethylphenyl)-5-[2-[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide)?
The canonical SMILES for dizinc;tetrakis(pyridine);bis(2-(2,4,6-trimethylphenyl)-5-[2-[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide) is Cc1cc(C)c(-c2ccc(C(C)(C)c3ccc(-c4c(C)cc(C)cc4C)[n-]3)[n-]2)c(C)c1.Cc1cc(C)c(-c2ccc(C(C)(C)c3ccc(-c4c(C)cc(C)cc4C)[n-]3)[n-]2)c(C)c1.[Zn+2].[Zn+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of dizinc;tetrakis(pyridine);bis(2-(2,4,6-trimethylphenyl)-5-[2-[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide)?
The InChIKey is XAYHKPGQAJJPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H32N2.4C5H5N.2Zn/c2*1-17-13-19(3)27(20(4)14-17)23-9-11-25(30-23)29(7,8)26-12-10-24(31-26)28-21(5)15-18(2)16-22(28)6;4*1-2-4-6-5-3-1;;/h2*9-16H,1-8H3;4*1-5H;;/q2*-2;;;;;2*+2.
What are the key properties of dizinc;tetrakis(pyridine);bis(2-(2,4,6-trimethylphenyl)-5-[2-[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide)?
dizinc;tetrakis(pyridine);bis(2-(2,4,6-trimethylphenyl)-5-[2-[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide) has a molecular weight of 1264.37 g/mol, XLogP of 18.54, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;tetrakis(pyridine);bis(2-(2,4,6-trimethylphenyl)-5-[2-[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide) is sourced from PubChem (CID 139115762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).