CID 11614124

C27H23NOP — CID 11614124

IUPAC—
SMILES[CH]1[CH][C](C2=N[C@@H](Cc3ccccc3)CO2)[C](P(c2ccccc2)c2ccccc2)[CH]1
InChIInChI=1S/C27H23NOP/c1-4-11-21(12-5-1)19-22-20-29-27(28-22)25-17-10-18-26(25)30(23-13-6-2-7-14-23)24-15-8-3-9-16-24/h1-18,22H,19-20H2/t22-/m0/s1
InChIKeyRQMXOFDBEFEZPS-QFIPXVFZSA-N
MW408.46 g/mol
LogP4.89
Rot. Bonds6

About CID 11614124

CID 11614124 (PubChem CID 11614124) has the molecular formula C27H23NOP and a molecular weight of 408.46 g/mol.

Molecular Properties

Compound NameCID 11614124
PubChem CID11614124
Molecular FormulaC27H23NOP
Molecular Weight408.46 g/mol
Exact Mass408.15
IUPAC Name—
SMILES[CH]1[CH][C](C2=N[C@@H](Cc3ccccc3)CO2)[C](P(c2ccccc2)c2ccccc2)[CH]1
InChIInChI=1S/C27H23NOP/c1-4-11-21(12-5-1)19-22-20-29-27(28-22)25-17-10-18-26(25)30(23-13-6-2-7-14-23)24-15-8-3-9-16-24/h1-18,22H,19-20H2/t22-/m0/s1
InChIKeyRQMXOFDBEFEZPS-QFIPXVFZSA-N
XLogP4.89
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 11614124?
The IUPAC name of CID 11614124 (CID 11614124) is not available.
What is the SMILES notation for CID 11614124?
The canonical SMILES for CID 11614124 is [CH]1[CH][C](C2=N[C@@H](Cc3ccccc3)CO2)[C](P(c2ccccc2)c2ccccc2)[CH]1.
What is the InChIKey of CID 11614124?
The InChIKey is RQMXOFDBEFEZPS-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H23NOP/c1-4-11-21(12-5-1)19-22-20-29-27(28-22)25-17-10-18-26(25)30(23-13-6-2-7-14-23)24-15-8-3-9-16-24/h1-18,22H,19-20H2/t22-/m0/s1.
What are the key properties of CID 11614124?
CID 11614124 has a molecular weight of 408.46 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11614124 is sourced from PubChem (CID 11614124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).