CID 59522718

C19H15FIrN- — CID 59522718

IUPAC—
SMILESCc1ccc2c3c(nccc13)-c1[c-]ccc(F)c1C2(C)C.[Ir]
InChIInChI=1S/C19H15FN.Ir/c1-11-7-8-14-16-12(11)9-10-21-18(16)13-5-4-6-15(20)17(13)19(14,2)3;/h4,6-10H,1-3H3;/q-1;
InChIKeyCIZBUEXQZZYWGT-UHFFFAOYSA-N
MW468.55 g/mol
LogP4.79
Rot. Bonds

About CID 59522718

CID 59522718 (PubChem CID 59522718) has the molecular formula C19H15FIrN- and a molecular weight of 468.55 g/mol.

Molecular Properties

Compound NameCID 59522718
PubChem CID59522718
Molecular FormulaC19H15FIrN-
Molecular Weight468.55 g/mol
Exact Mass469.08
IUPAC Name—
SMILESCc1ccc2c3c(nccc13)-c1[c-]ccc(F)c1C2(C)C.[Ir]
InChIInChI=1S/C19H15FN.Ir/c1-11-7-8-14-16-12(11)9-10-21-18(16)13-5-4-6-15(20)17(13)19(14,2)3;/h4,6-10H,1-3H3;/q-1;
InChIKeyCIZBUEXQZZYWGT-UHFFFAOYSA-N
XLogP4.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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6-fluoro-4,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 134201762

Frequently Asked Questions

What is the IUPAC name of CID 59522718?
The IUPAC name of CID 59522718 (CID 59522718) is not available.
What is the SMILES notation for CID 59522718?
The canonical SMILES for CID 59522718 is Cc1ccc2c3c(nccc13)-c1[c-]ccc(F)c1C2(C)C.[Ir].
What is the InChIKey of CID 59522718?
The InChIKey is CIZBUEXQZZYWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN.Ir/c1-11-7-8-14-16-12(11)9-10-21-18(16)13-5-4-6-15(20)17(13)19(14,2)3;/h4,6-10H,1-3H3;/q-1;.
What are the key properties of CID 59522718?
CID 59522718 has a molecular weight of 468.55 g/mol, XLogP of 4.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59522718 is sourced from PubChem (CID 59522718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).