CID 88515059

C25H31BN2 — CID 88515059

IUPAC—
SMILESCCCCCCCCn1ccnc1.[B]C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H11B.C11H20N2/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13;1-2-3-4-5-6-7-9-13-10-8-12-11-13/h1-11H;8,10-11H,2-7,9H2,1H3
InChIKeyHNVFMGLJMHGZLP-UHFFFAOYSA-N
MW370.35 g/mol
LogP6.49
Rot. Bonds9

About CID 88515059

CID 88515059 (PubChem CID 88515059) has the molecular formula C25H31BN2 and a molecular weight of 370.35 g/mol.

Molecular Properties

Compound NameCID 88515059
PubChem CID88515059
Molecular FormulaC25H31BN2
Molecular Weight370.35 g/mol
Exact Mass370.26
IUPAC Name—
SMILESCCCCCCCCn1ccnc1.[B]C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H11B.C11H20N2/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13;1-2-3-4-5-6-7-9-13-10-8-12-11-13/h1-11H;8,10-11H,2-7,9H2,1H3
InChIKeyHNVFMGLJMHGZLP-UHFFFAOYSA-N
XLogP6.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.35
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 88515059?
The IUPAC name of CID 88515059 (CID 88515059) is not available.
What is the SMILES notation for CID 88515059?
The canonical SMILES for CID 88515059 is CCCCCCCCn1ccnc1.[B]C=C(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 88515059?
The InChIKey is HNVFMGLJMHGZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11B.C11H20N2/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13;1-2-3-4-5-6-7-9-13-10-8-12-11-13/h1-11H;8,10-11H,2-7,9H2,1H3.
What are the key properties of CID 88515059?
CID 88515059 has a molecular weight of 370.35 g/mol, XLogP of 6.49, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88515059 is sourced from PubChem (CID 88515059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).