CID 145132296

C26H37BNO2 — CID 145132296

IUPAC—
SMILESCC(C)(O)C(C)(C)O[B]c1ccc(-c2ccc3c(c2)C(C)(C)C(C)(C)C3(C)C)nc1
InChIInChI=1S/C26H37BNO2/c1-22(2)19-13-11-17(15-20(19)23(3,4)24(22,5)6)21-14-12-18(16-28-21)27-30-26(9,10)25(7,8)29/h11-16,29H,1-10H3
InChIKeyCSBQTULFEJGVDY-UHFFFAOYSA-N
MW406.40 g/mol
LogP5.15
Rot. Bonds5

About CID 145132296

CID 145132296 (PubChem CID 145132296) has the molecular formula C26H37BNO2 and a molecular weight of 406.40 g/mol.

Molecular Properties

Compound NameCID 145132296
PubChem CID145132296
Molecular FormulaC26H37BNO2
Molecular Weight406.40 g/mol
Exact Mass406.29
IUPAC Name—
SMILESCC(C)(O)C(C)(C)O[B]c1ccc(-c2ccc3c(c2)C(C)(C)C(C)(C)C3(C)C)nc1
InChIInChI=1S/C26H37BNO2/c1-22(2)19-13-11-17(15-20(19)23(3,4)24(22,5)6)21-14-12-18(16-28-21)27-30-26(9,10)25(7,8)29/h11-16,29H,1-10H3
InChIKeyCSBQTULFEJGVDY-UHFFFAOYSA-N
XLogP5.15
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.40
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 145132296 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 142296860
CID 142296860
CID 153126153
CID 153126153
2-tert-butyl-5-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]pyrimidine
CID 140826470
CID 174026267
CID 174026267
2,4-ditert-butyl-6-[4-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-1,3,5-triazine
CID 140826343
2,4-bis(4-tert-butylphenyl)-6-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]pyrimidine
CID 140826425
2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4,6-dimethylpyrimidine
CID 118857218
5-[2-(3,5-dimethylphenyl)-3-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine
CID 153422803
CID 147254181
CID 147254181
CID 170746470
CID 170746470
2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]pyrimidine-4,6-dicarbonitrile
CID 118857250
CID 153369068
CID 153369068

Frequently Asked Questions

What is the IUPAC name of CID 145132296?
The IUPAC name of CID 145132296 (CID 145132296) is not available.
What is the SMILES notation for CID 145132296?
The canonical SMILES for CID 145132296 is CC(C)(O)C(C)(C)O[B]c1ccc(-c2ccc3c(c2)C(C)(C)C(C)(C)C3(C)C)nc1.
What is the InChIKey of CID 145132296?
The InChIKey is CSBQTULFEJGVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37BNO2/c1-22(2)19-13-11-17(15-20(19)23(3,4)24(22,5)6)21-14-12-18(16-28-21)27-30-26(9,10)25(7,8)29/h11-16,29H,1-10H3.
What are the key properties of CID 145132296?
CID 145132296 has a molecular weight of 406.40 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145132296 is sourced from PubChem (CID 145132296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).