CID 11372801

C27H25N2O — CID 11372801

IUPAC—
SMILESCC(C)(C)O[N]c1c(-c2ccccc2)cc(-c2ccncc2)cc1-c1ccccc1
InChIInChI=1S/C27H25N2O/c1-27(2,3)30-29-26-24(21-10-6-4-7-11-21)18-23(20-14-16-28-17-15-20)19-25(26)22-12-8-5-9-13-22/h4-19H,1-3H3
InChIKeyQFHQFXYVEQFGCJ-UHFFFAOYSA-N
MW393.51 g/mol
LogP7.05
Rot. Bonds5

About CID 11372801

CID 11372801 (PubChem CID 11372801) has the molecular formula C27H25N2O and a molecular weight of 393.51 g/mol.

Molecular Properties

Compound NameCID 11372801
PubChem CID11372801
Molecular FormulaC27H25N2O
Molecular Weight393.51 g/mol
Exact Mass393.20
IUPAC Name—
SMILESCC(C)(C)O[N]c1c(-c2ccccc2)cc(-c2ccncc2)cc1-c1ccccc1
InChIInChI=1S/C27H25N2O/c1-27(2,3)30-29-26-24(21-10-6-4-7-11-21)18-23(20-14-16-28-17-15-20)19-25(26)22-12-8-5-9-13-22/h4-19H,1-3H3
InChIKeyQFHQFXYVEQFGCJ-UHFFFAOYSA-N
XLogP7.05
TPSA36.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.51
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 11372801?
The IUPAC name of CID 11372801 (CID 11372801) is not available.
What is the SMILES notation for CID 11372801?
The canonical SMILES for CID 11372801 is CC(C)(C)O[N]c1c(-c2ccccc2)cc(-c2ccncc2)cc1-c1ccccc1.
What is the InChIKey of CID 11372801?
The InChIKey is QFHQFXYVEQFGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N2O/c1-27(2,3)30-29-26-24(21-10-6-4-7-11-21)18-23(20-14-16-28-17-15-20)19-25(26)22-12-8-5-9-13-22/h4-19H,1-3H3.
What are the key properties of CID 11372801?
CID 11372801 has a molecular weight of 393.51 g/mol, XLogP of 7.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11372801 is sourced from PubChem (CID 11372801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).