CID 70075760

C35H39NOSSi — CID 70075760

IUPAC—
SMILESCCCCCCN1c2ccccc2Sc2c1cccc2C(O[Si]C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H39NOSSi/c1-5-6-7-16-26-36-30-23-14-15-25-32(30)38-33-29(22-17-24-31(33)36)35(37-39-34(2,3)4,27-18-10-8-11-19-27)28-20-12-9-13-21-28/h8-15,17-25H,5-7,16,26H2,1-4H3
InChIKeyMJEACTQTGMJDCN-UHFFFAOYSA-N
MW549.86 g/mol
LogP10.02
Rot. Bonds10

About CID 70075760

CID 70075760 (PubChem CID 70075760) has the molecular formula C35H39NOSSi and a molecular weight of 549.86 g/mol.

Molecular Properties

Compound NameCID 70075760
PubChem CID70075760
Molecular FormulaC35H39NOSSi
Molecular Weight549.86 g/mol
Exact Mass549.25
IUPAC Name—
SMILESCCCCCCN1c2ccccc2Sc2c1cccc2C(O[Si]C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H39NOSSi/c1-5-6-7-16-26-36-30-23-14-15-25-32(30)38-33-29(22-17-24-31(33)36)35(37-39-34(2,3)4,27-18-10-8-11-19-27)28-20-12-9-13-21-28/h8-15,17-25H,5-7,16,26H2,1-4H3
InChIKeyMJEACTQTGMJDCN-UHFFFAOYSA-N
XLogP10.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.86
LogP ≤ 510.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 70075760?
The IUPAC name of CID 70075760 (CID 70075760) is not available.
What is the SMILES notation for CID 70075760?
The canonical SMILES for CID 70075760 is CCCCCCN1c2ccccc2Sc2c1cccc2C(O[Si]C(C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 70075760?
The InChIKey is MJEACTQTGMJDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39NOSSi/c1-5-6-7-16-26-36-30-23-14-15-25-32(30)38-33-29(22-17-24-31(33)36)35(37-39-34(2,3)4,27-18-10-8-11-19-27)28-20-12-9-13-21-28/h8-15,17-25H,5-7,16,26H2,1-4H3.
What are the key properties of CID 70075760?
CID 70075760 has a molecular weight of 549.86 g/mol, XLogP of 10.02, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70075760 is sourced from PubChem (CID 70075760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).