CID 142308532

C26H32BN2O2 — CID 142308532

IUPAC—
SMILESCC(C)c1cccc2c1-n1ccnc1-c1ccc([B]OC(C)(C)C(C)(C)O)c(c1)C2C
InChIInChI=1S/C26H32BN2O2/c1-16(2)19-9-8-10-20-17(3)21-15-18(24-28-13-14-29(24)23(19)20)11-12-22(21)27-31-26(6,7)25(4,5)30/h8-17,30H,1-7H3
InChIKeyDYXJFOPZDOZJTN-UHFFFAOYSA-N
MW415.37 g/mol
LogP4.94
Rot. Bonds5

About CID 142308532

CID 142308532 (PubChem CID 142308532) has the molecular formula C26H32BN2O2 and a molecular weight of 415.37 g/mol.

Molecular Properties

Compound NameCID 142308532
PubChem CID142308532
Molecular FormulaC26H32BN2O2
Molecular Weight415.37 g/mol
Exact Mass415.26
IUPAC Name—
SMILESCC(C)c1cccc2c1-n1ccnc1-c1ccc([B]OC(C)(C)C(C)(C)O)c(c1)C2C
InChIInChI=1S/C26H32BN2O2/c1-16(2)19-9-8-10-20-17(3)21-15-18(24-28-13-14-29(24)23(19)20)11-12-22(21)27-31-26(6,7)25(4,5)30/h8-17,30H,1-7H3
InChIKeyDYXJFOPZDOZJTN-UHFFFAOYSA-N
XLogP4.94
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.37
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 142308532?
The IUPAC name of CID 142308532 (CID 142308532) is not available.
What is the SMILES notation for CID 142308532?
The canonical SMILES for CID 142308532 is CC(C)c1cccc2c1-n1ccnc1-c1ccc([B]OC(C)(C)C(C)(C)O)c(c1)C2C.
What is the InChIKey of CID 142308532?
The InChIKey is DYXJFOPZDOZJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32BN2O2/c1-16(2)19-9-8-10-20-17(3)21-15-18(24-28-13-14-29(24)23(19)20)11-12-22(21)27-31-26(6,7)25(4,5)30/h8-17,30H,1-7H3.
What are the key properties of CID 142308532?
CID 142308532 has a molecular weight of 415.37 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142308532 is sourced from PubChem (CID 142308532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).