CID 153434809

C65H63N4O2Si4 — CID 153434809

IUPAC—
SMILESC[Si](C)c1cc(-c2c(-c3ccccc3-c3cccc(-c4ccccc4-c4ccn5c(=O)c6ccccc6nc5c4-c4cc([Si](C)(C)C)cc([Si](C)(C)C)c4)c3)ccn3c(=O)c4ccccc4nc23)cc([Si](C)(C)C)c1
InChIInChI=1S/C65H63N4O2Si4/c1-72(2)46-36-44(37-47(40-46)73(3,4)5)60-54(31-33-68-62(60)66-58-29-18-16-27-56(58)64(68)70)52-25-14-12-23-50(52)42-21-20-22-43(35-42)51-24-13-15-26-53(51)55-32-34-69-63(67-59-30-19-17-28-57(59)65(69)71)61(55)45-38-48(74(6,7)8)41-49(39-45)75(9,10)11/h12-41H,1-11H3
InChIKeyYXNSETVSMRJNRO-UHFFFAOYSA-N
MW1044.59 g/mol
LogP13.61
Rot. Bonds10

About CID 153434809

CID 153434809 (PubChem CID 153434809) has the molecular formula C65H63N4O2Si4 and a molecular weight of 1044.59 g/mol.

Molecular Properties

Compound NameCID 153434809
PubChem CID153434809
Molecular FormulaC65H63N4O2Si4
Molecular Weight1044.59 g/mol
Exact Mass1043.40
IUPAC Name—
SMILESC[Si](C)c1cc(-c2c(-c3ccccc3-c3cccc(-c4ccccc4-c4ccn5c(=O)c6ccccc6nc5c4-c4cc([Si](C)(C)C)cc([Si](C)(C)C)c4)c3)ccn3c(=O)c4ccccc4nc23)cc([Si](C)(C)C)c1
InChIInChI=1S/C65H63N4O2Si4/c1-72(2)46-36-44(37-47(40-46)73(3,4)5)60-54(31-33-68-62(60)66-58-29-18-16-27-56(58)64(68)70)52-25-14-12-23-50(52)42-21-20-22-43(35-42)51-24-13-15-26-53(51)55-32-34-69-63(67-59-30-19-17-28-57(59)65(69)71)61(55)45-38-48(74(6,7)8)41-49(39-45)75(9,10)11/h12-41H,1-11H3
InChIKeyYXNSETVSMRJNRO-UHFFFAOYSA-N
XLogP13.61
TPSA68.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001044.59
LogP ≤ 513.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze CID 153434809 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 CID 153434809?
The IUPAC name of CID 153434809 (CID 153434809) is not available.
What is the SMILES notation for CID 153434809?
The canonical SMILES for CID 153434809 is C[Si](C)c1cc(-c2c(-c3ccccc3-c3cccc(-c4ccccc4-c4ccn5c(=O)c6ccccc6nc5c4-c4cc([Si](C)(C)C)cc([Si](C)(C)C)c4)c3)ccn3c(=O)c4ccccc4nc23)cc([Si](C)(C)C)c1.
What is the InChIKey of CID 153434809?
The InChIKey is YXNSETVSMRJNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H63N4O2Si4/c1-72(2)46-36-44(37-47(40-46)73(3,4)5)60-54(31-33-68-62(60)66-58-29-18-16-27-56(58)64(68)70)52-25-14-12-23-50(52)42-21-20-22-43(35-42)51-24-13-15-26-53(51)55-32-34-69-63(67-59-30-19-17-28-57(59)65(69)71)61(55)45-38-48(74(6,7)8)41-49(39-45)75(9,10)11/h12-41H,1-11H3.
What are the key properties of CID 153434809?
CID 153434809 has a molecular weight of 1044.59 g/mol, XLogP of 13.61, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153434809 is sourced from PubChem (CID 153434809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).