CID 10930139

C38H40FeP2+ — CID 10930139

IUPAC—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.[C-]#C.[Fe+2].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24P2.C10H15.C2H.Fe/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-6-7(2)9(4)10(5)8(6)3;1-2;/h1-20H,21-22H2;1-5H3;1H;/q;;-1;+2
InChIKeyGWGZXQZTTMCJDT-UHFFFAOYSA-N
MW614.53 g/mol
LogP8.43
Rot. Bonds7

About CID 10930139

CID 10930139 (PubChem CID 10930139) has the molecular formula C38H40FeP2+ and a molecular weight of 614.53 g/mol.

Molecular Properties

Compound NameCID 10930139
PubChem CID10930139
Molecular FormulaC38H40FeP2+
Molecular Weight614.53 g/mol
Exact Mass614.19
IUPAC Name—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.[C-]#C.[Fe+2].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24P2.C10H15.C2H.Fe/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-6-7(2)9(4)10(5)8(6)3;1-2;/h1-20H,21-22H2;1-5H3;1H;/q;;-1;+2
InChIKeyGWGZXQZTTMCJDT-UHFFFAOYSA-N
XLogP8.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.53
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 10930139?
The IUPAC name of CID 10930139 (CID 10930139) is not available.
What is the SMILES notation for CID 10930139?
The canonical SMILES for CID 10930139 is C[C]1[C](C)[C](C)[C](C)[C]1C.[C-]#C.[Fe+2].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 10930139?
The InChIKey is GWGZXQZTTMCJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24P2.C10H15.C2H.Fe/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-6-7(2)9(4)10(5)8(6)3;1-2;/h1-20H,21-22H2;1-5H3;1H;/q;;-1;+2.
What are the key properties of CID 10930139?
CID 10930139 has a molecular weight of 614.53 g/mol, XLogP of 8.43, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10930139 is sourced from PubChem (CID 10930139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).