CID 23655834

C28H39Cl2NORu — CID 23655834

IUPAC—
SMILESCC(C)Oc1ccccc1C=[Ru](Cl)Cl.CCc1cccc(CC)c1N1[C]C(C)(C)CC1(C)C
InChIInChI=1S/C18H27N.C10H12O.2ClH.Ru/c1-7-14-10-9-11-15(8-2)16(14)19-13-17(3,4)12-18(19,5)6;1-8(2)11-10-7-5-4-6-9(10)3;;;/h9-11H,7-8,12H2,1-6H3;3-8H,1-2H3;2*1H;/q;;;;+2/p-2
InChIKeyXNZGSIFRPINRQL-UHFFFAOYSA-L
MW577.60 g/mol
LogP8.41
Rot. Bonds6

About CID 23655834

CID 23655834 (PubChem CID 23655834) has the molecular formula C28H39Cl2NORu and a molecular weight of 577.60 g/mol.

Molecular Properties

Compound NameCID 23655834
PubChem CID23655834
Molecular FormulaC28H39Cl2NORu
Molecular Weight577.60 g/mol
Exact Mass577.15
IUPAC Name—
SMILESCC(C)Oc1ccccc1C=[Ru](Cl)Cl.CCc1cccc(CC)c1N1[C]C(C)(C)CC1(C)C
InChIInChI=1S/C18H27N.C10H12O.2ClH.Ru/c1-7-14-10-9-11-15(8-2)16(14)19-13-17(3,4)12-18(19,5)6;1-8(2)11-10-7-5-4-6-9(10)3;;;/h9-11H,7-8,12H2,1-6H3;3-8H,1-2H3;2*1H;/q;;;;+2/p-2
InChIKeyXNZGSIFRPINRQL-UHFFFAOYSA-L
XLogP8.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.60
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 23655834?
The IUPAC name of CID 23655834 (CID 23655834) is not available.
What is the SMILES notation for CID 23655834?
The canonical SMILES for CID 23655834 is CC(C)Oc1ccccc1C=[Ru](Cl)Cl.CCc1cccc(CC)c1N1[C]C(C)(C)CC1(C)C.
What is the InChIKey of CID 23655834?
The InChIKey is XNZGSIFRPINRQL-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H27N.C10H12O.2ClH.Ru/c1-7-14-10-9-11-15(8-2)16(14)19-13-17(3,4)12-18(19,5)6;1-8(2)11-10-7-5-4-6-9(10)3;;;/h9-11H,7-8,12H2,1-6H3;3-8H,1-2H3;2*1H;/q;;;;+2/p-2.
What are the key properties of CID 23655834?
CID 23655834 has a molecular weight of 577.60 g/mol, XLogP of 8.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23655834 is sourced from PubChem (CID 23655834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).