CID 136802731

C36H70Se2Si7 — CID 136802731

IUPAC—
SMILESCc1cc(C)c([Si]([Se])([Se])c2c(C([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)[Si](C)(C)C)cc2C([Si](C)(C)C)[Si](C)(C)C)c(C)c1
InChIInChI=1S/C36H70Se2Si7/c1-26-22-27(2)32(28(3)23-26)45(37,38)33-30(35(41(10,11)12)42(13,14)15)24-29(34(39(4,5)6)40(7,8)9)25-31(33)36(43(16,17)18)44(19,20)21/h22-25,34-36H,1-21H3
InChIKeySULYFJMNZZCFQD-UHFFFAOYSA-N
MW857.48 g/mol
LogP10.02
Rot. Bonds11

About CID 136802731

CID 136802731 (PubChem CID 136802731) has the molecular formula C36H70Se2Si7 and a molecular weight of 857.48 g/mol.

Molecular Properties

Compound NameCID 136802731
PubChem CID136802731
Molecular FormulaC36H70Se2Si7
Molecular Weight857.48 g/mol
Exact Mass858.22
IUPAC Name—
SMILESCc1cc(C)c([Si]([Se])([Se])c2c(C([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)[Si](C)(C)C)cc2C([Si](C)(C)C)[Si](C)(C)C)c(C)c1
InChIInChI=1S/C36H70Se2Si7/c1-26-22-27(2)32(28(3)23-26)45(37,38)33-30(35(41(10,11)12)42(13,14)15)24-29(34(39(4,5)6)40(7,8)9)25-31(33)36(43(16,17)18)44(19,20)21/h22-25,34-36H,1-21H3
InChIKeySULYFJMNZZCFQD-UHFFFAOYSA-N
XLogP10.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500857.48
LogP ≤ 510.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 136802731?
The IUPAC name of CID 136802731 (CID 136802731) is not available.
What is the SMILES notation for CID 136802731?
The canonical SMILES for CID 136802731 is Cc1cc(C)c([Si]([Se])([Se])c2c(C([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)[Si](C)(C)C)cc2C([Si](C)(C)C)[Si](C)(C)C)c(C)c1.
What is the InChIKey of CID 136802731?
The InChIKey is SULYFJMNZZCFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H70Se2Si7/c1-26-22-27(2)32(28(3)23-26)45(37,38)33-30(35(41(10,11)12)42(13,14)15)24-29(34(39(4,5)6)40(7,8)9)25-31(33)36(43(16,17)18)44(19,20)21/h22-25,34-36H,1-21H3.
What are the key properties of CID 136802731?
CID 136802731 has a molecular weight of 857.48 g/mol, XLogP of 10.02, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136802731 is sourced from PubChem (CID 136802731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).