CID 123237849

C22H22B — CID 123237849

IUPAC—
SMILES[BH]CCCC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22B/c23-18-10-17-22(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16,23H,10,17-18H2
InChIKeyYFJBXMCQOQUSMS-UHFFFAOYSA-N
MW297.23 g/mol
LogP5.12
Rot. Bonds6

About CID 123237849

CID 123237849 (PubChem CID 123237849) has the molecular formula C22H22B and a molecular weight of 297.23 g/mol.

Molecular Properties

Compound NameCID 123237849
PubChem CID123237849
Molecular FormulaC22H22B
Molecular Weight297.23 g/mol
Exact Mass297.18
IUPAC Name—
SMILES[BH]CCCC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22B/c23-18-10-17-22(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16,23H,10,17-18H2
InChIKeyYFJBXMCQOQUSMS-UHFFFAOYSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.23
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

10,10,10-triphenyldecylphosphanium bromide
CID 69307814
13,13,13-triphenyltridecylphosphanium bromide
CID 71354528
13,13,13-triphenyltridecan-1-ol
CID 150406449
14,14,14-triphenyltetradecylazanium bromide
CID 69305418
3,3,3-triphenylpropan-1-amine
CID 10125450
carbonic acid;4,4,4-triphenylbutylphosphane
CID 173313082
10,10,10-triphenyldecylhydrazine
CID 150931504
4-[1-phenyl-1-(4-sulfanylphenyl)pentyl]benzenethiol
CID 156622039
tributyl(4,4,4-triphenylbutyl)azanium
CID 118467118
phosphane;6,6,6-triphenylhexanoic acid
CID 175595654
bromo(9,9,9-triphenylnonyl)phosphane
CID 139644220
1-chloro-4-[1-(4-chlorophenyl)-1-phenylpentyl]benzene
CID 57254584

Frequently Asked Questions

What is the IUPAC name of CID 123237849?
The IUPAC name of CID 123237849 (CID 123237849) is not available.
What is the SMILES notation for CID 123237849?
The canonical SMILES for CID 123237849 is [BH]CCCC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 123237849?
The InChIKey is YFJBXMCQOQUSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22B/c23-18-10-17-22(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16,23H,10,17-18H2.
What are the key properties of CID 123237849?
CID 123237849 has a molecular weight of 297.23 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123237849 is sourced from PubChem (CID 123237849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).