CID 158307351

C25H41BrN4Sn3 — CID 158307351

IUPAC—
SMILESC[Sn](C)C.C[Sn](C)C.Cc1[nH]nc2ccc(Br)cc12.Cc1[nH]nc2ccc([Sn](C)(C)C)cc12
InChIInChI=1S/C8H7BrN2.C8H7N2.9CH3.3Sn/c1-5-7-4-6(9)2-3-8(7)11-10-5;1-6-7-4-2-3-5-8(7)10-9-6;;;;;;;;;;;;/h2-4H,1H3,(H,10,11);3-5H,1H3,(H,9,10);9*1H3;;;
InChIKeyGNFZEJUFASSHGH-UHFFFAOYSA-N
MW833.67 g/mol
LogP7.79
Rot. Bonds1

About CID 158307351

CID 158307351 (PubChem CID 158307351) has the molecular formula C25H41BrN4Sn3 and a molecular weight of 833.67 g/mol.

Molecular Properties

Compound NameCID 158307351
PubChem CID158307351
Molecular FormulaC25H41BrN4Sn3
Molecular Weight833.67 g/mol
Exact Mass835.96
IUPAC Name—
SMILESC[Sn](C)C.C[Sn](C)C.Cc1[nH]nc2ccc(Br)cc12.Cc1[nH]nc2ccc([Sn](C)(C)C)cc12
InChIInChI=1S/C8H7BrN2.C8H7N2.9CH3.3Sn/c1-5-7-4-6(9)2-3-8(7)11-10-5;1-6-7-4-2-3-5-8(7)10-9-6;;;;;;;;;;;;/h2-4H,1H3,(H,10,11);3-5H,1H3,(H,9,10);9*1H3;;;
InChIKeyGNFZEJUFASSHGH-UHFFFAOYSA-N
XLogP7.79
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.67
LogP ≤ 57.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 158307351?
The IUPAC name of CID 158307351 (CID 158307351) is not available.
What is the SMILES notation for CID 158307351?
The canonical SMILES for CID 158307351 is C[Sn](C)C.C[Sn](C)C.Cc1[nH]nc2ccc(Br)cc12.Cc1[nH]nc2ccc([Sn](C)(C)C)cc12.
What is the InChIKey of CID 158307351?
The InChIKey is GNFZEJUFASSHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2.C8H7N2.9CH3.3Sn/c1-5-7-4-6(9)2-3-8(7)11-10-5;1-6-7-4-2-3-5-8(7)10-9-6;;;;;;;;;;;;/h2-4H,1H3,(H,10,11);3-5H,1H3,(H,9,10);9*1H3;;;.
What are the key properties of CID 158307351?
CID 158307351 has a molecular weight of 833.67 g/mol, XLogP of 7.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158307351 is sourced from PubChem (CID 158307351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).