CID 10231612

C30H36Fe2P2+4 — CID 10231612

IUPAC—
SMILESC[C@@H]([C]1[CH][CH][CH][CH]1)P(CCP([C@@H](C)[C]1[CH][CH][CH][CH]1)[C@@H](C)[C]1[CH][CH][CH][CH]1)[C@@H](C)[C]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2]
InChIInChI=1S/C30H36P2.2Fe/c1-23(27-13-5-6-14-27)31(24(2)28-15-7-8-16-28)21-22-32(25(3)29-17-9-10-18-29)26(4)30-19-11-12-20-30;;/h5-20,23-26H,21-22H2,1-4H3;;/q;2*+2/t23-,24-,25-,26-;;/m0../s1
InChIKeyCMOGZHDOFXZXCX-LFGCKFEXSA-N
MW570.26 g/mol
LogP7.12
Rot. Bonds11

About CID 10231612

CID 10231612 (PubChem CID 10231612) has the molecular formula C30H36Fe2P2+4 and a molecular weight of 570.26 g/mol.

Molecular Properties

Compound NameCID 10231612
PubChem CID10231612
Molecular FormulaC30H36Fe2P2+4
Molecular Weight570.26 g/mol
Exact Mass570.10
IUPAC Name—
SMILESC[C@@H]([C]1[CH][CH][CH][CH]1)P(CCP([C@@H](C)[C]1[CH][CH][CH][CH]1)[C@@H](C)[C]1[CH][CH][CH][CH]1)[C@@H](C)[C]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2]
InChIInChI=1S/C30H36P2.2Fe/c1-23(27-13-5-6-14-27)31(24(2)28-15-7-8-16-28)21-22-32(25(3)29-17-9-10-18-29)26(4)30-19-11-12-20-30;;/h5-20,23-26H,21-22H2,1-4H3;;/q;2*+2/t23-,24-,25-,26-;;/m0../s1
InChIKeyCMOGZHDOFXZXCX-LFGCKFEXSA-N
XLogP7.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.26
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 10231612?
The IUPAC name of CID 10231612 (CID 10231612) is not available.
What is the SMILES notation for CID 10231612?
The canonical SMILES for CID 10231612 is C[C@@H]([C]1[CH][CH][CH][CH]1)P(CCP([C@@H](C)[C]1[CH][CH][CH][CH]1)[C@@H](C)[C]1[CH][CH][CH][CH]1)[C@@H](C)[C]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2].
What is the InChIKey of CID 10231612?
The InChIKey is CMOGZHDOFXZXCX-LFGCKFEXSA-N. The full InChI is InChI=1S/C30H36P2.2Fe/c1-23(27-13-5-6-14-27)31(24(2)28-15-7-8-16-28)21-22-32(25(3)29-17-9-10-18-29)26(4)30-19-11-12-20-30;;/h5-20,23-26H,21-22H2,1-4H3;;/q;2*+2/t23-,24-,25-,26-;;/m0../s1.
What are the key properties of CID 10231612?
CID 10231612 has a molecular weight of 570.26 g/mol, XLogP of 7.12, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10231612 is sourced from PubChem (CID 10231612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).