CID 173257696

C72H56Sn2 — CID 173257696

IUPAC—
SMILESc1ccc(C2=C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)([Sn](c3ccccc3)c3ccccc3)C(c3ccccc3)=C2c2ccccc2)cc1.c1ccc([Sn](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C42H31.5C6H5.2Sn/c1-7-19-31(20-8-1)37-38(32-21-9-2-10-22-32)40(34-25-13-4-14-26-34)42(36-29-17-6-18-30-36)41(35-27-15-5-16-28-35)39(37)33-23-11-3-12-24-33;5*1-2-4-6-5-3-1;;/h1-30,37H;5*1-5H;;
InChIKeyFSVXNWGTUCXSDI-UHFFFAOYSA-N
MW1158.66 g/mol
LogP13.99
Rot. Bonds12

About CID 173257696

CID 173257696 (PubChem CID 173257696) has the molecular formula C72H56Sn2 and a molecular weight of 1158.66 g/mol.

Molecular Properties

Compound NameCID 173257696
PubChem CID173257696
Molecular FormulaC72H56Sn2
Molecular Weight1158.66 g/mol
Exact Mass1160.24
IUPAC Name—
SMILESc1ccc(C2=C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)([Sn](c3ccccc3)c3ccccc3)C(c3ccccc3)=C2c2ccccc2)cc1.c1ccc([Sn](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C42H31.5C6H5.2Sn/c1-7-19-31(20-8-1)37-38(32-21-9-2-10-22-32)40(34-25-13-4-14-26-34)42(36-29-17-6-18-30-36)41(35-27-15-5-16-28-35)39(37)33-23-11-3-12-24-33;5*1-2-4-6-5-3-1;;/h1-30,37H;5*1-5H;;
InChIKeyFSVXNWGTUCXSDI-UHFFFAOYSA-N
XLogP13.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001158.66
LogP ≤ 513.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173257696?
The IUPAC name of CID 173257696 (CID 173257696) is not available.
What is the SMILES notation for CID 173257696?
The canonical SMILES for CID 173257696 is c1ccc(C2=C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)([Sn](c3ccccc3)c3ccccc3)C(c3ccccc3)=C2c2ccccc2)cc1.c1ccc([Sn](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 173257696?
The InChIKey is FSVXNWGTUCXSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31.5C6H5.2Sn/c1-7-19-31(20-8-1)37-38(32-21-9-2-10-22-32)40(34-25-13-4-14-26-34)42(36-29-17-6-18-30-36)41(35-27-15-5-16-28-35)39(37)33-23-11-3-12-24-33;5*1-2-4-6-5-3-1;;/h1-30,37H;5*1-5H;;.
What are the key properties of CID 173257696?
CID 173257696 has a molecular weight of 1158.66 g/mol, XLogP of 13.99, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173257696 is sourced from PubChem (CID 173257696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).