CID 101010389

C28H26NO — CID 101010389

IUPAC—
SMILESCCc1ccc(-c2ccc(N([O])c3ccc(-c4ccc(CC)cc4)cc3)cc2)cc1
InChIInChI=1S/C28H26NO/c1-3-21-5-9-23(10-6-21)25-13-17-27(18-14-25)29(30)28-19-15-26(16-20-28)24-11-7-22(4-2)8-12-24/h5-20H,3-4H2,1-2H3
InChIKeyHYPQBIOOXGTTCN-UHFFFAOYSA-N
MW392.52 g/mol
LogP7.63
Rot. Bonds6

About CID 101010389

CID 101010389 (PubChem CID 101010389) has the molecular formula C28H26NO and a molecular weight of 392.52 g/mol.

Molecular Properties

Compound NameCID 101010389
PubChem CID101010389
Molecular FormulaC28H26NO
Molecular Weight392.52 g/mol
Exact Mass392.20
IUPAC Name—
SMILESCCc1ccc(-c2ccc(N([O])c3ccc(-c4ccc(CC)cc4)cc3)cc2)cc1
InChIInChI=1S/C28H26NO/c1-3-21-5-9-23(10-6-21)25-13-17-27(18-14-25)29(30)28-19-15-26(16-20-28)24-11-7-22(4-2)8-12-24/h5-20H,3-4H2,1-2H3
InChIKeyHYPQBIOOXGTTCN-UHFFFAOYSA-N
XLogP7.63
TPSA23.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.52
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 101010389?
The IUPAC name of CID 101010389 (CID 101010389) is not available.
What is the SMILES notation for CID 101010389?
The canonical SMILES for CID 101010389 is CCc1ccc(-c2ccc(N([O])c3ccc(-c4ccc(CC)cc4)cc3)cc2)cc1.
What is the InChIKey of CID 101010389?
The InChIKey is HYPQBIOOXGTTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26NO/c1-3-21-5-9-23(10-6-21)25-13-17-27(18-14-25)29(30)28-19-15-26(16-20-28)24-11-7-22(4-2)8-12-24/h5-20H,3-4H2,1-2H3.
What are the key properties of CID 101010389?
CID 101010389 has a molecular weight of 392.52 g/mol, XLogP of 7.63, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101010389 is sourced from PubChem (CID 101010389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).