CID 139149638

C41H40F12Ge2N8 — CID 139149638

IUPAC—
SMILESCc1cc(C(F)(F)F)n([Ge](n2nc(C(F)(F)F)cc2C)n2nc(C(F)(F)F)cc2C)n1.Cc1cc(C(F)(F)F)nn1[Ge].Cc1ccccc1.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/C15H12F9GeN6.3C7H8.C5H4F3GeN2/c1-7-4-12(15(22,23)24)31(26-7)25(29-8(2)5-10(27-29)13(16,17)18)30-9(3)6-11(28-30)14(19,20)21;3*1-7-5-3-2-4-6-7;1-3-2-4(5(6,7)8)10-11(3)9/h4-6H,1-3H3;3*2-6H,1H3;2H,1H3
InChIKeyKWCGDWMIMZPMPO-UHFFFAOYSA-N
MW1018.02 g/mol
LogP11.31
Rot. Bonds3

About CID 139149638

CID 139149638 (PubChem CID 139149638) has the molecular formula C41H40F12Ge2N8 and a molecular weight of 1018.02 g/mol.

Molecular Properties

Compound NameCID 139149638
PubChem CID139149638
Molecular FormulaC41H40F12Ge2N8
Molecular Weight1018.02 g/mol
Exact Mass1020.16
IUPAC Name—
SMILESCc1cc(C(F)(F)F)n([Ge](n2nc(C(F)(F)F)cc2C)n2nc(C(F)(F)F)cc2C)n1.Cc1cc(C(F)(F)F)nn1[Ge].Cc1ccccc1.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/C15H12F9GeN6.3C7H8.C5H4F3GeN2/c1-7-4-12(15(22,23)24)31(26-7)25(29-8(2)5-10(27-29)13(16,17)18)30-9(3)6-11(28-30)14(19,20)21;3*1-7-5-3-2-4-6-7;1-3-2-4(5(6,7)8)10-11(3)9/h4-6H,1-3H3;3*2-6H,1H3;2H,1H3
InChIKeyKWCGDWMIMZPMPO-UHFFFAOYSA-N
XLogP11.31
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001018.02
LogP ≤ 511.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of CID 139149638?
The IUPAC name of CID 139149638 (CID 139149638) is not available.
What is the SMILES notation for CID 139149638?
The canonical SMILES for CID 139149638 is Cc1cc(C(F)(F)F)n([Ge](n2nc(C(F)(F)F)cc2C)n2nc(C(F)(F)F)cc2C)n1.Cc1cc(C(F)(F)F)nn1[Ge].Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.
What is the InChIKey of CID 139149638?
The InChIKey is KWCGDWMIMZPMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F9GeN6.3C7H8.C5H4F3GeN2/c1-7-4-12(15(22,23)24)31(26-7)25(29-8(2)5-10(27-29)13(16,17)18)30-9(3)6-11(28-30)14(19,20)21;3*1-7-5-3-2-4-6-7;1-3-2-4(5(6,7)8)10-11(3)9/h4-6H,1-3H3;3*2-6H,1H3;2H,1H3.
What are the key properties of CID 139149638?
CID 139149638 has a molecular weight of 1018.02 g/mol, XLogP of 11.31, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139149638 is sourced from PubChem (CID 139149638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).