CID 134952008

C24H56N15O5Si5 — CID 134952008

IUPAC—
SMILESCN(C)/C(N)=N/C(N)=N/c1nc(/N=C(N)/N=C(\N)N(C)C)nc(NCCC[Si]2(C)O[Si](C)(C)O[Si](C)O[Si](C)(C)O[Si](C)(CCCN)O2)n1
InChIInChI=1S/C24H56N15O5Si5/c1-38(2)20(28)31-18(26)33-23-35-22(36-24(37-23)34-19(27)32-21(29)39(3)4)30-15-13-17-49(11)43-47(8,9)41-45(5)40-46(6,7)42-48(10,44-49)16-12-14-25/h12-17,25H2,1-11H3,(H9,26,27,28,29,30,31,32,33,34,35,36,37)
InChIKeyIEDCPRKESNDAAR-UHFFFAOYSA-N
MW775.24 g/mol
LogP0.43
Rot. Bonds10

About CID 134952008

CID 134952008 (PubChem CID 134952008) has the molecular formula C24H56N15O5Si5 and a molecular weight of 775.24 g/mol.

Molecular Properties

Compound NameCID 134952008
PubChem CID134952008
Molecular FormulaC24H56N15O5Si5
Molecular Weight775.24 g/mol
Exact Mass774.34
IUPAC Name—
SMILESCN(C)/C(N)=N/C(N)=N/c1nc(/N=C(N)/N=C(\N)N(C)C)nc(NCCC[Si]2(C)O[Si](C)(C)O[Si](C)O[Si](C)(C)O[Si](C)(CCCN)O2)n1
InChIInChI=1S/C24H56N15O5Si5/c1-38(2)20(28)31-18(26)33-23-35-22(36-24(37-23)34-19(27)32-21(29)39(3)4)30-15-13-17-49(11)43-47(8,9)41-45(5)40-46(6,7)42-48(10,44-49)16-12-14-25/h12-17,25H2,1-11H3,(H9,26,27,28,29,30,31,32,33,34,35,36,37)
InChIKeyIEDCPRKESNDAAR-UHFFFAOYSA-N
XLogP0.43
TPSA282.87 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500775.24
LogP ≤ 50.43
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 134952008?
The IUPAC name of CID 134952008 (CID 134952008) is not available.
What is the SMILES notation for CID 134952008?
The canonical SMILES for CID 134952008 is CN(C)/C(N)=N/C(N)=N/c1nc(/N=C(N)/N=C(\N)N(C)C)nc(NCCC[Si]2(C)O[Si](C)(C)O[Si](C)O[Si](C)(C)O[Si](C)(CCCN)O2)n1.
What is the InChIKey of CID 134952008?
The InChIKey is IEDCPRKESNDAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H56N15O5Si5/c1-38(2)20(28)31-18(26)33-23-35-22(36-24(37-23)34-19(27)32-21(29)39(3)4)30-15-13-17-49(11)43-47(8,9)41-45(5)40-46(6,7)42-48(10,44-49)16-12-14-25/h12-17,25H2,1-11H3,(H9,26,27,28,29,30,31,32,33,34,35,36,37).
What are the key properties of CID 134952008?
CID 134952008 has a molecular weight of 775.24 g/mol, XLogP of 0.43, 10 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134952008 is sourced from PubChem (CID 134952008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).