CID 153322105

C60H84N3O3Si3 — CID 153322105

IUPAC—
SMILESC=CCCCC(CC=C)[Si](CC(C)c1ccccc1)Cn1c(=O)n(C[Si](CC(C)c2ccccc2)C(CC=C)CCCC=C)c(=O)n(C[Si](CC(C)c2ccccc2)C(CC=C)CCCC=C)c1=O
InChIInChI=1S/C60H84N3O3Si3/c1-10-16-22-40-55(31-13-4)67(43-49(7)52-34-25-19-26-35-52)46-61-58(64)62(47-68(56(32-14-5)41-23-17-11-2)44-50(8)53-36-27-20-28-37-53)60(66)63(59(61)65)48-69(57(33-15-6)42-24-18-12-3)45-51(9)54-38-29-21-30-39-54/h10-15,19-21,25-30,34-39,49-51,55-57H,1-6,16-18,22-24,31-33,40-48H2,7-9H3
InChIKeyYIZYRSGMHBBMJH-UHFFFAOYSA-N
MW979.61 g/mol
LogP14.59
Rot. Bonds36

About CID 153322105

CID 153322105 (PubChem CID 153322105) has the molecular formula C60H84N3O3Si3 and a molecular weight of 979.61 g/mol.

Molecular Properties

Compound NameCID 153322105
PubChem CID153322105
Molecular FormulaC60H84N3O3Si3
Molecular Weight979.61 g/mol
Exact Mass978.58
IUPAC Name—
SMILESC=CCCCC(CC=C)[Si](CC(C)c1ccccc1)Cn1c(=O)n(C[Si](CC(C)c2ccccc2)C(CC=C)CCCC=C)c(=O)n(C[Si](CC(C)c2ccccc2)C(CC=C)CCCC=C)c1=O
InChIInChI=1S/C60H84N3O3Si3/c1-10-16-22-40-55(31-13-4)67(43-49(7)52-34-25-19-26-35-52)46-61-58(64)62(47-68(56(32-14-5)41-23-17-11-2)44-50(8)53-36-27-20-28-37-53)60(66)63(59(61)65)48-69(57(33-15-6)42-24-18-12-3)45-51(9)54-38-29-21-30-39-54/h10-15,19-21,25-30,34-39,49-51,55-57H,1-6,16-18,22-24,31-33,40-48H2,7-9H3
InChIKeyYIZYRSGMHBBMJH-UHFFFAOYSA-N
XLogP14.59
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds36
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500979.61
LogP ≤ 514.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 153322105?
The IUPAC name of CID 153322105 (CID 153322105) is not available.
What is the SMILES notation for CID 153322105?
The canonical SMILES for CID 153322105 is C=CCCCC(CC=C)[Si](CC(C)c1ccccc1)Cn1c(=O)n(C[Si](CC(C)c2ccccc2)C(CC=C)CCCC=C)c(=O)n(C[Si](CC(C)c2ccccc2)C(CC=C)CCCC=C)c1=O.
What is the InChIKey of CID 153322105?
The InChIKey is YIZYRSGMHBBMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H84N3O3Si3/c1-10-16-22-40-55(31-13-4)67(43-49(7)52-34-25-19-26-35-52)46-61-58(64)62(47-68(56(32-14-5)41-23-17-11-2)44-50(8)53-36-27-20-28-37-53)60(66)63(59(61)65)48-69(57(33-15-6)42-24-18-12-3)45-51(9)54-38-29-21-30-39-54/h10-15,19-21,25-30,34-39,49-51,55-57H,1-6,16-18,22-24,31-33,40-48H2,7-9H3.
What are the key properties of CID 153322105?
CID 153322105 has a molecular weight of 979.61 g/mol, XLogP of 14.59, 36 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153322105 is sourced from PubChem (CID 153322105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).