CID 10553823

C27H22NO2 — CID 10553823

IUPAC—
SMILESOC([C]1[CH][CH][CH][C]1C1=N[C@@H](c2ccccc2)CO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H22NO2/c29-27(21-13-6-2-7-14-21,22-15-8-3-9-16-22)24-18-10-17-23(24)26-28-25(19-30-26)20-11-4-1-5-12-20/h1-18,25,29H,19H2/t25-/m1/s1
InChIKeyMDKJMUZDBNBUSW-RUZDIDTESA-N
MW392.48 g/mol
LogP4.87
Rot. Bonds5

About CID 10553823

CID 10553823 (PubChem CID 10553823) has the molecular formula C27H22NO2 and a molecular weight of 392.48 g/mol.

Molecular Properties

Compound NameCID 10553823
PubChem CID10553823
Molecular FormulaC27H22NO2
Molecular Weight392.48 g/mol
Exact Mass392.17
IUPAC Name—
SMILESOC([C]1[CH][CH][CH][C]1C1=N[C@@H](c2ccccc2)CO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H22NO2/c29-27(21-13-6-2-7-14-21,22-15-8-3-9-16-22)24-18-10-17-23(24)26-28-25(19-30-26)20-11-4-1-5-12-20/h1-18,25,29H,19H2/t25-/m1/s1
InChIKeyMDKJMUZDBNBUSW-RUZDIDTESA-N
XLogP4.87
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 10553823?
The IUPAC name of CID 10553823 (CID 10553823) is not available.
What is the SMILES notation for CID 10553823?
The canonical SMILES for CID 10553823 is OC([C]1[CH][CH][CH][C]1C1=N[C@@H](c2ccccc2)CO1)(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 10553823?
The InChIKey is MDKJMUZDBNBUSW-RUZDIDTESA-N. The full InChI is InChI=1S/C27H22NO2/c29-27(21-13-6-2-7-14-21,22-15-8-3-9-16-22)24-18-10-17-23(24)26-28-25(19-30-26)20-11-4-1-5-12-20/h1-18,25,29H,19H2/t25-/m1/s1.
What are the key properties of CID 10553823?
CID 10553823 has a molecular weight of 392.48 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10553823 is sourced from PubChem (CID 10553823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).