CID 153471855

C31H38BN6O4Si — CID 153471855

IUPAC—
SMILESCC(C)(C)[Si](C)(C)OC[C@@]1(C)CN([B]C=O)c2c(C#N)cc(-c3ccnc(Nc4cccnc4O[C@H]4CCOC4)n3)cc21
InChIInChI=1S/C31H38BN6O4Si/c1-30(2,3)43(5,6)41-19-31(4)18-38(32-20-39)27-22(16-33)14-21(15-24(27)31)25-9-12-35-29(36-25)37-26-8-7-11-34-28(26)42-23-10-13-40-17-23/h7-9,11-12,14-15,20,23H,10,13,17-19H2,1-6H3,(H,35,36,37)/t23-,31+/m0/s1
InChIKeyFFDDLGGMOZBOMF-GTYOFVGBSA-N
MW597.58 g/mol
LogP5.23
Rot. Bonds10

About CID 153471855

CID 153471855 (PubChem CID 153471855) has the molecular formula C31H38BN6O4Si and a molecular weight of 597.58 g/mol.

Molecular Properties

Compound NameCID 153471855
PubChem CID153471855
Molecular FormulaC31H38BN6O4Si
Molecular Weight597.58 g/mol
Exact Mass597.28
IUPAC Name—
SMILESCC(C)(C)[Si](C)(C)OC[C@@]1(C)CN([B]C=O)c2c(C#N)cc(-c3ccnc(Nc4cccnc4O[C@H]4CCOC4)n3)cc21
InChIInChI=1S/C31H38BN6O4Si/c1-30(2,3)43(5,6)41-19-31(4)18-38(32-20-39)27-22(16-33)14-21(15-24(27)31)25-9-12-35-29(36-25)37-26-8-7-11-34-28(26)42-23-10-13-40-17-23/h7-9,11-12,14-15,20,23H,10,13,17-19H2,1-6H3,(H,35,36,37)/t23-,31+/m0/s1
InChIKeyFFDDLGGMOZBOMF-GTYOFVGBSA-N
XLogP5.23
TPSA122.49 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.58
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze CID 153471855 with MolForge

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

Launch Full Analysis

Related Compounds

CID 153281637
CID 153281637
CID 153471904
CID 153471904
CID 156662383
CID 156662383
CID 149365579
CID 149365579
CID 153281582
CID 153281582
CID 153471995
CID 153471995
CID 156662385
CID 156662385
CID 153281710
CID 153281710
CID 153471861
CID 153471861
CID 153472011
CID 153472011
CID 153281585
CID 153281585
CID 153281618
CID 153281618

Frequently Asked Questions

What is the IUPAC name of CID 153471855?
The IUPAC name of CID 153471855 (CID 153471855) is not available.
What is the SMILES notation for CID 153471855?
The canonical SMILES for CID 153471855 is CC(C)(C)[Si](C)(C)OC[C@@]1(C)CN([B]C=O)c2c(C#N)cc(-c3ccnc(Nc4cccnc4O[C@H]4CCOC4)n3)cc21.
What is the InChIKey of CID 153471855?
The InChIKey is FFDDLGGMOZBOMF-GTYOFVGBSA-N. The full InChI is InChI=1S/C31H38BN6O4Si/c1-30(2,3)43(5,6)41-19-31(4)18-38(32-20-39)27-22(16-33)14-21(15-24(27)31)25-9-12-35-29(36-25)37-26-8-7-11-34-28(26)42-23-10-13-40-17-23/h7-9,11-12,14-15,20,23H,10,13,17-19H2,1-6H3,(H,35,36,37)/t23-,31+/m0/s1.
What are the key properties of CID 153471855?
CID 153471855 has a molecular weight of 597.58 g/mol, XLogP of 5.23, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153471855 is sourced from PubChem (CID 153471855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).