CID 139179594

C100H152Pb4Si8-2 — CID 139179594

IUPAC—
SMILESC[Si](C)(C)C1=CC([Si](C)(C)C)=C2[CH+]C=CC=C12.C[Si](C)(C)c1c[c-]([Si](C)(C)C)c2ccccc12.C[Si](C)(C)c1cc([Si](C)(C)C)[c-]2ccccc12.C[Si](C)(C)c1cc([Si](C)(C)C)[c-]2ccccc12.Cc1c(C)c(C)[c-](C)c1C.Cc1c(C)c(C)[c-](C)c1C.Cc1c(C)c(C)[c-](C)c1C.Cc1c(C)c(C)[c-](C)c1C.[Pb+2].[Pb+2].[Pb].[Pb]
InChIInChI=1S/4C15H23Si2.4C10H15.4Pb/c4*1-16(2,3)14-11-15(17(4,5)6)13-10-8-7-9-12(13)14;4*1-6-7(2)9(4)10(5)8(6)3;;;;/h4*7-11H,1-6H3;4*1-5H3;;;;/q3*-1;+1;4*-1;;;2*+2
InChIKeyBAGANCFKPUBNMD-UHFFFAOYSA-N
MW2407.80 g/mol
LogP25.89
Rot. Bonds8

About CID 139179594

CID 139179594 (PubChem CID 139179594) has the molecular formula C100H152Pb4Si8-2 and a molecular weight of 2407.80 g/mol.

Molecular Properties

Compound NameCID 139179594
PubChem CID139179594
Molecular FormulaC100H152Pb4Si8-2
Molecular Weight2407.80 g/mol
Exact Mass2408.91
IUPAC Name—
SMILESC[Si](C)(C)C1=CC([Si](C)(C)C)=C2[CH+]C=CC=C12.C[Si](C)(C)c1c[c-]([Si](C)(C)C)c2ccccc12.C[Si](C)(C)c1cc([Si](C)(C)C)[c-]2ccccc12.C[Si](C)(C)c1cc([Si](C)(C)C)[c-]2ccccc12.Cc1c(C)c(C)[c-](C)c1C.Cc1c(C)c(C)[c-](C)c1C.Cc1c(C)c(C)[c-](C)c1C.Cc1c(C)c(C)[c-](C)c1C.[Pb+2].[Pb+2].[Pb].[Pb]
InChIInChI=1S/4C15H23Si2.4C10H15.4Pb/c4*1-16(2,3)14-11-15(17(4,5)6)13-10-8-7-9-12(13)14;4*1-6-7(2)9(4)10(5)8(6)3;;;;/h4*7-11H,1-6H3;4*1-5H3;;;;/q3*-1;+1;4*-1;;;2*+2
InChIKeyBAGANCFKPUBNMD-UHFFFAOYSA-N
XLogP25.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002407.80
LogP ≤ 525.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 139179594?
The IUPAC name of CID 139179594 (CID 139179594) is not available.
What is the SMILES notation for CID 139179594?
The canonical SMILES for CID 139179594 is C[Si](C)(C)C1=CC([Si](C)(C)C)=C2[CH+]C=CC=C12.C[Si](C)(C)c1c[c-]([Si](C)(C)C)c2ccccc12.C[Si](C)(C)c1cc([Si](C)(C)C)[c-]2ccccc12.C[Si](C)(C)c1cc([Si](C)(C)C)[c-]2ccccc12.Cc1c(C)c(C)[c-](C)c1C.Cc1c(C)c(C)[c-](C)c1C.Cc1c(C)c(C)[c-](C)c1C.Cc1c(C)c(C)[c-](C)c1C.[Pb+2].[Pb+2].[Pb].[Pb].
What is the InChIKey of CID 139179594?
The InChIKey is BAGANCFKPUBNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/4C15H23Si2.4C10H15.4Pb/c4*1-16(2,3)14-11-15(17(4,5)6)13-10-8-7-9-12(13)14;4*1-6-7(2)9(4)10(5)8(6)3;;;;/h4*7-11H,1-6H3;4*1-5H3;;;;/q3*-1;+1;4*-1;;;2*+2.
What are the key properties of CID 139179594?
CID 139179594 has a molecular weight of 2407.80 g/mol, XLogP of 25.89, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139179594 is sourced from PubChem (CID 139179594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).