CID 11228014

C37H41IrOP2 — CID 11228014

IUPAC—
SMILESCCOC[C]1[C](C)[C](C)[C](C)[C]1C.[Ir].c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22P2.C12H19O.Ir/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;1-6-13-7-12-10(4)8(2)9(3)11(12)5;/h1-20H,21H2;6-7H2,1-5H3;
InChIKeyRGVODYZQDYAKNE-UHFFFAOYSA-N
MW755.90 g/mol
LogP8.20
Rot. Bonds9

About CID 11228014

CID 11228014 (PubChem CID 11228014) has the molecular formula C37H41IrOP2 and a molecular weight of 755.90 g/mol.

Molecular Properties

Compound NameCID 11228014
PubChem CID11228014
Molecular FormulaC37H41IrOP2
Molecular Weight755.90 g/mol
Exact Mass756.23
IUPAC Name—
SMILESCCOC[C]1[C](C)[C](C)[C](C)[C]1C.[Ir].c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22P2.C12H19O.Ir/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;1-6-13-7-12-10(4)8(2)9(3)11(12)5;/h1-20H,21H2;6-7H2,1-5H3;
InChIKeyRGVODYZQDYAKNE-UHFFFAOYSA-N
XLogP8.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.90
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 11228015
CID 11228015
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CID 161086749
methoxymethyl(diphenyl)phosphane
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Frequently Asked Questions

What is the IUPAC name of CID 11228014?
The IUPAC name of CID 11228014 (CID 11228014) is not available.
What is the SMILES notation for CID 11228014?
The canonical SMILES for CID 11228014 is CCOC[C]1[C](C)[C](C)[C](C)[C]1C.[Ir].c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 11228014?
The InChIKey is RGVODYZQDYAKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22P2.C12H19O.Ir/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;1-6-13-7-12-10(4)8(2)9(3)11(12)5;/h1-20H,21H2;6-7H2,1-5H3;.
What are the key properties of CID 11228014?
CID 11228014 has a molecular weight of 755.90 g/mol, XLogP of 8.20, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11228014 is sourced from PubChem (CID 11228014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).