CID 11434160

C37H31Cl4FeNP2+2 — CID 11434160

IUPAC—
SMILESC[C@H]([C]1[CH][CH][CH][C]1P(c1ccccc1)c1ccccc1)N(C)P(c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C32H26Cl4NP2.C5H5.Fe/c1-22(27-14-9-15-32(27)38(23-10-5-3-6-11-23)24-12-7-4-8-13-24)37(2)39(25-16-18-28(33)30(35)20-25)26-17-19-29(34)31(36)21-26;1-2-4-5-3-1;/h3-22H,1-2H3;1-5H;/q;;+2/t22-;;/m1../s1
InChIKeyBHMCHZVWQNZFMV-GJICFQLNSA-N
MW749.27 g/mol
LogP9.85
Rot. Bonds8

About CID 11434160

CID 11434160 (PubChem CID 11434160) has the molecular formula C37H31Cl4FeNP2+2 and a molecular weight of 749.27 g/mol.

Molecular Properties

Compound NameCID 11434160
PubChem CID11434160
Molecular FormulaC37H31Cl4FeNP2+2
Molecular Weight749.27 g/mol
Exact Mass747.00
IUPAC Name—
SMILESC[C@H]([C]1[CH][CH][CH][C]1P(c1ccccc1)c1ccccc1)N(C)P(c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C32H26Cl4NP2.C5H5.Fe/c1-22(27-14-9-15-32(27)38(23-10-5-3-6-11-23)24-12-7-4-8-13-24)37(2)39(25-16-18-28(33)30(35)20-25)26-17-19-29(34)31(36)21-26;1-2-4-5-3-1;/h3-22H,1-2H3;1-5H;/q;;+2/t22-;;/m1../s1
InChIKeyBHMCHZVWQNZFMV-GJICFQLNSA-N
XLogP9.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.27
LogP ≤ 59.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 11434160?
The IUPAC name of CID 11434160 (CID 11434160) is not available.
What is the SMILES notation for CID 11434160?
The canonical SMILES for CID 11434160 is C[C@H]([C]1[CH][CH][CH][C]1P(c1ccccc1)c1ccccc1)N(C)P(c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1.[CH]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 11434160?
The InChIKey is BHMCHZVWQNZFMV-GJICFQLNSA-N. The full InChI is InChI=1S/C32H26Cl4NP2.C5H5.Fe/c1-22(27-14-9-15-32(27)38(23-10-5-3-6-11-23)24-12-7-4-8-13-24)37(2)39(25-16-18-28(33)30(35)20-25)26-17-19-29(34)31(36)21-26;1-2-4-5-3-1;/h3-22H,1-2H3;1-5H;/q;;+2/t22-;;/m1../s1.
What are the key properties of CID 11434160?
CID 11434160 has a molecular weight of 749.27 g/mol, XLogP of 9.85, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11434160 is sourced from PubChem (CID 11434160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).