CID 154715428

C29H26FNO2 — CID 154715428

IUPAC—
SMILESFc1ccc(N2c3ccccc3C3(OOC34C3CC5CC(C3)CC4C5)c3ccccc32)cc1
InChIInChI=1S/C29H26FNO2/c30-22-9-11-23(12-10-22)31-26-7-3-1-5-24(26)29(25-6-2-4-8-27(25)31)28(32-33-29)20-14-18-13-19(16-20)17-21(28)15-18/h1-12,18-21H,13-17H2
InChIKeyFTGYDXHYEPULTA-UHFFFAOYSA-N
MW439.53 g/mol
LogP7.01
Rot. Bonds1

About CID 154715428

CID 154715428 (PubChem CID 154715428) has the molecular formula C29H26FNO2 and a molecular weight of 439.53 g/mol.

Molecular Properties

Compound NameCID 154715428
PubChem CID154715428
Molecular FormulaC29H26FNO2
Molecular Weight439.53 g/mol
Exact Mass439.19
IUPAC Name—
SMILESFc1ccc(N2c3ccccc3C3(OOC34C3CC5CC(C3)CC4C5)c3ccccc32)cc1
InChIInChI=1S/C29H26FNO2/c30-22-9-11-23(12-10-22)31-26-7-3-1-5-24(26)29(25-6-2-4-8-27(25)31)28(32-33-29)20-14-18-13-19(16-20)17-21(28)15-18/h1-12,18-21H,13-17H2
InChIKeyFTGYDXHYEPULTA-UHFFFAOYSA-N
XLogP7.01
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.53
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 154715428?
The IUPAC name of CID 154715428 (CID 154715428) is not available.
What is the SMILES notation for CID 154715428?
The canonical SMILES for CID 154715428 is Fc1ccc(N2c3ccccc3C3(OOC34C3CC5CC(C3)CC4C5)c3ccccc32)cc1.
What is the InChIKey of CID 154715428?
The InChIKey is FTGYDXHYEPULTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FNO2/c30-22-9-11-23(12-10-22)31-26-7-3-1-5-24(26)29(25-6-2-4-8-27(25)31)28(32-33-29)20-14-18-13-19(16-20)17-21(28)15-18/h1-12,18-21H,13-17H2.
What are the key properties of CID 154715428?
CID 154715428 has a molecular weight of 439.53 g/mol, XLogP of 7.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154715428 is sourced from PubChem (CID 154715428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).