CID 173452029

C21H27AlP3 — CID 173452029

IUPAC—
SMILESPCc1ccccc1.PCc1ccccc1.PCc1ccccc1.[Al]
InChIInChI=1S/3C7H9P.Al/c3*8-6-7-4-2-1-3-5-7;/h3*1-5H,6,8H2;
InChIKeyHFSPTIAKFRDUDW-UHFFFAOYSA-N
MW399.35 g/mol
LogP5.80
Rot. Bonds3

About CID 173452029

CID 173452029 (PubChem CID 173452029) has the molecular formula C21H27AlP3 and a molecular weight of 399.35 g/mol.

Molecular Properties

Compound NameCID 173452029
PubChem CID173452029
Molecular FormulaC21H27AlP3
Molecular Weight399.35 g/mol
Exact Mass399.11
IUPAC Name—
SMILESPCc1ccccc1.PCc1ccccc1.PCc1ccccc1.[Al]
InChIInChI=1S/3C7H9P.Al/c3*8-6-7-4-2-1-3-5-7;/h3*1-5H,6,8H2;
InChIKeyHFSPTIAKFRDUDW-UHFFFAOYSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.35
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173452029?
The IUPAC name of CID 173452029 (CID 173452029) is not available.
What is the SMILES notation for CID 173452029?
The canonical SMILES for CID 173452029 is PCc1ccccc1.PCc1ccccc1.PCc1ccccc1.[Al].
What is the InChIKey of CID 173452029?
The InChIKey is HFSPTIAKFRDUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H9P.Al/c3*8-6-7-4-2-1-3-5-7;/h3*1-5H,6,8H2;.
What are the key properties of CID 173452029?
CID 173452029 has a molecular weight of 399.35 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173452029 is sourced from PubChem (CID 173452029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).