CID 11190720

C29H25FeOP+2 — CID 11190720

IUPAC—
SMILESCc1ccccc1[C]1[CH][CH][CH][C]1P(=O)(c1ccccc1)c1ccccc1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C24H20OP.C5H5.Fe/c1-19-11-8-9-16-22(19)23-17-10-18-24(23)26(25,20-12-4-2-5-13-20)21-14-6-3-7-15-21;1-2-4-5-3-1;/h2-18H,1H3;1-5H;/q;;+2
InChIKeyMRCCNSZCYFNQOE-UHFFFAOYSA-N
MW476.34 g/mol
LogP6.11
Rot. Bonds4

About CID 11190720

CID 11190720 (PubChem CID 11190720) has the molecular formula C29H25FeOP+2 and a molecular weight of 476.34 g/mol.

Molecular Properties

Compound NameCID 11190720
PubChem CID11190720
Molecular FormulaC29H25FeOP+2
Molecular Weight476.34 g/mol
Exact Mass476.10
IUPAC Name—
SMILESCc1ccccc1[C]1[CH][CH][CH][C]1P(=O)(c1ccccc1)c1ccccc1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C24H20OP.C5H5.Fe/c1-19-11-8-9-16-22(19)23-17-10-18-24(23)26(25,20-12-4-2-5-13-20)21-14-6-3-7-15-21;1-2-4-5-3-1;/h2-18H,1H3;1-5H;/q;;+2
InChIKeyMRCCNSZCYFNQOE-UHFFFAOYSA-N
XLogP6.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.34
LogP ≤ 56.11
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'}

Analyze CID 11190720 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-diphenylphosphorylphenyl)-2-methylbenzene
CID 15531741
CID 25229120
CID 25229120
carbonic acid;1-methyl-2-(2-methylphenyl)benzene
CID 67741238
diphenylphosphorylbenzene;terbium
CID 86595283
1-methyl-2-phenylbenzene;phosphoric acid
CID 159087333
1-(4-diphenylphosphorylphenyl)-4-methylbenzene
CID 11233983
CID 56838123
CID 56838123
2-[phenyl-(2-sulfanylphenyl)phosphoryl]benzenethiol
CID 15409952
1-[(4-bromophenyl)-(2-methylphenyl)phosphoryl]-2-methylbenzene
CID 150421985
2-(2-diphenylphosphorylphenyl)-N,N-diphenylaniline
CID 127262709
CID 11561638
CID 11561638
ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997

Frequently Asked Questions

What is the IUPAC name of CID 11190720?
The IUPAC name of CID 11190720 (CID 11190720) is not available.
What is the SMILES notation for CID 11190720?
The canonical SMILES for CID 11190720 is Cc1ccccc1[C]1[CH][CH][CH][C]1P(=O)(c1ccccc1)c1ccccc1.[CH]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 11190720?
The InChIKey is MRCCNSZCYFNQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20OP.C5H5.Fe/c1-19-11-8-9-16-22(19)23-17-10-18-24(23)26(25,20-12-4-2-5-13-20)21-14-6-3-7-15-21;1-2-4-5-3-1;/h2-18H,1H3;1-5H;/q;;+2.
What are the key properties of CID 11190720?
CID 11190720 has a molecular weight of 476.34 g/mol, XLogP of 6.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11190720 is sourced from PubChem (CID 11190720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).