CID 174098007

C24H24BN — CID 174098007

IUPAC—
SMILES[B]C1(c2ccc(-c3ccnc(-c4ccccc4)c3)cc2)CCCC(C)C1
InChIInChI=1S/C24H24BN/c1-18-6-5-14-24(25,17-18)22-11-9-19(10-12-22)21-13-15-26-23(16-21)20-7-3-2-4-8-20/h2-4,7-13,15-16,18H,5-6,14,17H2,1H3
InChIKeyZQZDGVHFTCPYHH-UHFFFAOYSA-N
MW337.28 g/mol
LogP5.99
Rot. Bonds3

About CID 174098007

CID 174098007 (PubChem CID 174098007) has the molecular formula C24H24BN and a molecular weight of 337.28 g/mol.

Molecular Properties

Compound NameCID 174098007
PubChem CID174098007
Molecular FormulaC24H24BN
Molecular Weight337.28 g/mol
Exact Mass337.20
IUPAC Name—
SMILES[B]C1(c2ccc(-c3ccnc(-c4ccccc4)c3)cc2)CCCC(C)C1
InChIInChI=1S/C24H24BN/c1-18-6-5-14-24(25,17-18)22-11-9-19(10-12-22)21-13-15-26-23(16-21)20-7-3-2-4-8-20/h2-4,7-13,15-16,18H,5-6,14,17H2,1H3
InChIKeyZQZDGVHFTCPYHH-UHFFFAOYSA-N
XLogP5.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.28
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174098007?
The IUPAC name of CID 174098007 (CID 174098007) is not available.
What is the SMILES notation for CID 174098007?
The canonical SMILES for CID 174098007 is [B]C1(c2ccc(-c3ccnc(-c4ccccc4)c3)cc2)CCCC(C)C1.
What is the InChIKey of CID 174098007?
The InChIKey is ZQZDGVHFTCPYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BN/c1-18-6-5-14-24(25,17-18)22-11-9-19(10-12-22)21-13-15-26-23(16-21)20-7-3-2-4-8-20/h2-4,7-13,15-16,18H,5-6,14,17H2,1H3.
What are the key properties of CID 174098007?
CID 174098007 has a molecular weight of 337.28 g/mol, XLogP of 5.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174098007 is sourced from PubChem (CID 174098007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).