CID 145340823

C26H26BN2O2 — CID 145340823

IUPAC—
SMILESCC(C)(O)C(C)(C)O[B]c1ccc(-c2cc(-c3ccccn3)nc3ccccc23)cc1
InChIInChI=1S/C26H26BN2O2/c1-25(2,30)26(3,4)31-27-19-14-12-18(13-15-19)21-17-24(23-11-7-8-16-28-23)29-22-10-6-5-9-20(21)22/h5-17,30H,1-4H3
InChIKeyQMRLSGZIGZXJCF-UHFFFAOYSA-N
MW409.32 g/mol
LogP4.77
Rot. Bonds6

About CID 145340823

CID 145340823 (PubChem CID 145340823) has the molecular formula C26H26BN2O2 and a molecular weight of 409.32 g/mol.

Molecular Properties

Compound NameCID 145340823
PubChem CID145340823
Molecular FormulaC26H26BN2O2
Molecular Weight409.32 g/mol
Exact Mass409.21
IUPAC Name—
SMILESCC(C)(O)C(C)(C)O[B]c1ccc(-c2cc(-c3ccccn3)nc3ccccc23)cc1
InChIInChI=1S/C26H26BN2O2/c1-25(2,30)26(3,4)31-27-19-14-12-18(13-15-19)21-17-24(23-11-7-8-16-28-23)29-22-10-6-5-9-20(21)22/h5-17,30H,1-4H3
InChIKeyQMRLSGZIGZXJCF-UHFFFAOYSA-N
XLogP4.77
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.32
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-6-[4-[2-[4-(4-phenyl-2-pyridin-2-ylquinolin-6-yl)phenyl]propan-2-yl]phenyl]-2-pyridin-2-ylquinoline
CID 130392309
CID 71229617
CID 71229617
4-[4-(12-phenylchrysen-6-yl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 155655346
CID 148951295
CID 148951295
4-chloro-2-pyridin-2-ylquinoline
CID 24903559
CID 174013969
CID 174013969
CID 140706912
CID 140706912
CID 159777647
CID 159777647
2,4-bis(4-fluorophenyl)quinoline
CID 19694816
4-(4-methoxyphenyl)-2-phenylquinoline
CID 12523263
2-[4-[7-tert-butyl-3-(4-pyridin-2-ylphenyl)pyren-1-yl]phenyl]quinoline
CID 58029011
4-[4-[1-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]cyclohexyl]phenyl]-2,6-dipyridin-2-ylpyridine;4-[4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]propan-2-yl]phenyl]-2,6-dipyridin-2-ylpyridine;4-(4-phenylphenyl)-2-[4-[1-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]cyclohexyl]phenyl]quinazoline;2-phenyl-4-[4-[1-[4-(2-phenylquinazolin-4-yl)phenyl]cyclohexyl]phenyl]quinazoline;4-phenyl-2-[4-[4-[1-[4-[4-(4-phenylquinolin-2-yl)phenyl]phenyl]cyclohexyl]phenyl]phenyl]quinoline;4-pyridin-2-yl-2-[4-[1-[4-(4-pyridin-2-ylquinazolin-2-yl)phenyl]cyclohexyl]phenyl]quinazoline
CID 158963181

Frequently Asked Questions

What is the IUPAC name of CID 145340823?
The IUPAC name of CID 145340823 (CID 145340823) is not available.
What is the SMILES notation for CID 145340823?
The canonical SMILES for CID 145340823 is CC(C)(O)C(C)(C)O[B]c1ccc(-c2cc(-c3ccccn3)nc3ccccc23)cc1.
What is the InChIKey of CID 145340823?
The InChIKey is QMRLSGZIGZXJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26BN2O2/c1-25(2,30)26(3,4)31-27-19-14-12-18(13-15-19)21-17-24(23-11-7-8-16-28-23)29-22-10-6-5-9-20(21)22/h5-17,30H,1-4H3.
What are the key properties of CID 145340823?
CID 145340823 has a molecular weight of 409.32 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145340823 is sourced from PubChem (CID 145340823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).