CID 123997246

C24H16BN2 — CID 123997246

IUPAC—
SMILES[B](c1ccc2[nH]c3ccccc3c2c1)c1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C24H16BN2/c1-3-7-21-17(5-1)19-13-15(9-11-23(19)26-21)25-16-10-12-24-20(14-16)18-6-2-4-8-22(18)27-24/h1-14,26-27H
InChIKeyPLRUDJLQWWDZDT-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.61
Rot. Bonds2

About CID 123997246

CID 123997246 (PubChem CID 123997246) has the molecular formula C24H16BN2 and a molecular weight of 343.22 g/mol.

Molecular Properties

Compound NameCID 123997246
PubChem CID123997246
Molecular FormulaC24H16BN2
Molecular Weight343.22 g/mol
Exact Mass343.14
IUPAC Name—
SMILES[B](c1ccc2[nH]c3ccccc3c2c1)c1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C24H16BN2/c1-3-7-21-17(5-1)19-13-15(9-11-23(19)26-21)25-16-10-12-24-20(14-16)18-6-2-4-8-22(18)27-24/h1-14,26-27H
InChIKeyPLRUDJLQWWDZDT-UHFFFAOYSA-N
XLogP4.61
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7,17,24,34-tetrazanonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1(20),2,4(16),5,8,10,12,14,18,21(33),22,25,27,29,31-pentadecaene
CID 58471811
9H-carbazole
CID 66668984
9H-carbazole;copper
CID 159878189
bis(9H-carbazole);platinum(2+)
CID 175826437
9H-carbazole;3,6-dibromo-9H-carbazole
CID 159453130
9H-carbazole;9H-carbazole-3,6-diamine
CID 161182207
9H-carbazole;ethane
CID 91098062
bis(9H-carbazole);ethane
CID 145072085
3-[2-(9H-carbazol-3-yl)ethyl]-9H-carbazole
CID 123609825
2,2-bis(9H-carbazol-3-yl)acetamide
CID 171509526
dipotassium;9H-carbazole;3-iodo-9H-carbazole;tetraiodide
CID 159826322
bromomethane;9H-carbazole
CID 67594562

Frequently Asked Questions

What is the IUPAC name of CID 123997246?
The IUPAC name of CID 123997246 (CID 123997246) is not available.
What is the SMILES notation for CID 123997246?
The canonical SMILES for CID 123997246 is [B](c1ccc2[nH]c3ccccc3c2c1)c1ccc2[nH]c3ccccc3c2c1.
What is the InChIKey of CID 123997246?
The InChIKey is PLRUDJLQWWDZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BN2/c1-3-7-21-17(5-1)19-13-15(9-11-23(19)26-21)25-16-10-12-24-20(14-16)18-6-2-4-8-22(18)27-24/h1-14,26-27H.
What are the key properties of CID 123997246?
CID 123997246 has a molecular weight of 343.22 g/mol, XLogP of 4.61, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123997246 is sourced from PubChem (CID 123997246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).