CID 173302406

C34H25SnZr — CID 173302406

IUPAC—
SMILESC1=CC(c2cccc3c2C([Sn](c2ccccc2)c2ccccc2)c2ccccc2-3)c2ccccc21.[Zr]
InChIInChI=1S/C22H15.2C6H5.Sn.Zr/c1-3-8-17-15(6-1)12-13-21(17)20-11-5-10-19-18-9-4-2-7-16(18)14-22(19)20;2*1-2-4-6-5-3-1;;/h1-14,21H;2*1-5H;;
InChIKeyINBVMCGTKJCJDD-UHFFFAOYSA-N
MW643.51 g/mol
LogP6.80
Rot. Bonds4

About CID 173302406

CID 173302406 (PubChem CID 173302406) has the molecular formula C34H25SnZr and a molecular weight of 643.51 g/mol.

Molecular Properties

Compound NameCID 173302406
PubChem CID173302406
Molecular FormulaC34H25SnZr
Molecular Weight643.51 g/mol
Exact Mass643.00
IUPAC Name—
SMILESC1=CC(c2cccc3c2C([Sn](c2ccccc2)c2ccccc2)c2ccccc2-3)c2ccccc21.[Zr]
InChIInChI=1S/C22H15.2C6H5.Sn.Zr/c1-3-8-17-15(6-1)12-13-21(17)20-11-5-10-19-18-9-4-2-7-16(18)14-22(19)20;2*1-2-4-6-5-3-1;;/h1-14,21H;2*1-5H;;
InChIKeyINBVMCGTKJCJDD-UHFFFAOYSA-N
XLogP6.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.51
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 173302406?
The IUPAC name of CID 173302406 (CID 173302406) is not available.
What is the SMILES notation for CID 173302406?
The canonical SMILES for CID 173302406 is C1=CC(c2cccc3c2C([Sn](c2ccccc2)c2ccccc2)c2ccccc2-3)c2ccccc21.[Zr].
What is the InChIKey of CID 173302406?
The InChIKey is INBVMCGTKJCJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15.2C6H5.Sn.Zr/c1-3-8-17-15(6-1)12-13-21(17)20-11-5-10-19-18-9-4-2-7-16(18)14-22(19)20;2*1-2-4-6-5-3-1;;/h1-14,21H;2*1-5H;;.
What are the key properties of CID 173302406?
CID 173302406 has a molecular weight of 643.51 g/mol, XLogP of 6.80, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173302406 is sourced from PubChem (CID 173302406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).