4-[2-[amino(propyl)boranyl]phenyl]-2-(2-chlorophenyl)-6-phenylpyridine

C26H24BClN2 — CID 142128339

IUPAC4-[2-[amino(propyl)boranyl]phenyl]-2-(2-chlorophenyl)-6-phenylpyridine
SMILESCCCB(N)c1ccccc1-c1cc(-c2ccccc2)nc(-c2ccccc2Cl)c1
InChIInChI=1S/C26H24BClN2/c1-2-16-27(29)23-14-8-6-12-21(23)20-17-25(19-10-4-3-5-11-19)30-26(18-20)22-13-7-9-15-24(22)28/h3-15,17-18H,2,16,29H2,1H3
InChIKeyZSIZJHCPAZFHMU-UHFFFAOYSA-N
MW410.76 g/mol
LogP6.30
Rot. Bonds6

About 4-[2-[amino(propyl)boranyl]phenyl]-2-(2-chlorophenyl)-6-phenylpyridine

4-[2-[amino(propyl)boranyl]phenyl]-2-(2-chlorophenyl)-6-phenylpyridine (PubChem CID 142128339) has the molecular formula C26H24BClN2 and a molecular weight of 410.76 g/mol. Its IUPAC name is 4-[2-[amino(propyl)boranyl]phenyl]-2-(2-chlorophenyl)-6-phenylpyridine.

Molecular Properties

Compound Name4-[2-[amino(propyl)boranyl]phenyl]-2-(2-chlorophenyl)-6-phenylpyridine
PubChem CID142128339
Molecular FormulaC26H24BClN2
Molecular Weight410.76 g/mol
Exact Mass410.17
IUPAC Name4-[2-[amino(propyl)boranyl]phenyl]-2-(2-chlorophenyl)-6-phenylpyridine
SMILESCCCB(N)c1ccccc1-c1cc(-c2ccccc2)nc(-c2ccccc2Cl)c1
InChIInChI=1S/C26H24BClN2/c1-2-16-27(29)23-14-8-6-12-21(23)20-17-25(19-10-4-3-5-11-19)30-26(18-20)22-13-7-9-15-24(22)28/h3-15,17-18H,2,16,29H2,1H3
InChIKeyZSIZJHCPAZFHMU-UHFFFAOYSA-N
XLogP6.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.76
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-bis(2-phenylphenyl)pyridine
CID 58693115
4-(2,6-dichlorophenyl)-2,6-diphenylpyridine
CID 139203314
4-[4-(2-chlorophenyl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 170004607
2-amino-N'-[2-(2-chlorophenyl)-6-phenyl-4-pyridinyl]benzenecarboximidamide
CID 142125546
2,6-diphenyl-4-propylpyridine
CID 164669086
1-chloro-2-[2-[2-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 171525544
ethyl 2-[6-[4-(2-chlorophenyl)-6-phenyl-2-pyridinyl]-3-oxo-1,4-benzoxazin-4-yl]acetate
CID 56693911
4-(2-chlorophenyl)-6-(3-methoxyphenyl)pyrimidin-2-amine
CID 75359889
2-amino-4-(2-chlorophenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile
CID 5259033
4-[3-(2,6-diphenyl-4-pyridinyl)-2-methyl-5-phenylphenyl]-2,6-diphenylpyridine
CID 58692950
2,4,6-tris[2-(6-phenyl-3-pyridinyl)phenyl]pyridine
CID 134191347
ethyl 6-[[6-(2-chlorophenyl)-4-phenyl-2-pyridinyl]oxy]-2-methylhexanoate
CID 18987293

Frequently Asked Questions

What is the IUPAC name of 4-[2-[amino(propyl)boranyl]phenyl]-2-(2-chlorophenyl)-6-phenylpyridine?
The IUPAC name of 4-[2-[amino(propyl)boranyl]phenyl]-2-(2-chlorophenyl)-6-phenylpyridine (CID 142128339) is 4-[2-[amino(propyl)boranyl]phenyl]-2-(2-chlorophenyl)-6-phenylpyridine.
What is the SMILES notation for 4-[2-[amino(propyl)boranyl]phenyl]-2-(2-chlorophenyl)-6-phenylpyridine?
The canonical SMILES for 4-[2-[amino(propyl)boranyl]phenyl]-2-(2-chlorophenyl)-6-phenylpyridine is CCCB(N)c1ccccc1-c1cc(-c2ccccc2)nc(-c2ccccc2Cl)c1.
What is the InChIKey of 4-[2-[amino(propyl)boranyl]phenyl]-2-(2-chlorophenyl)-6-phenylpyridine?
The InChIKey is ZSIZJHCPAZFHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24BClN2/c1-2-16-27(29)23-14-8-6-12-21(23)20-17-25(19-10-4-3-5-11-19)30-26(18-20)22-13-7-9-15-24(22)28/h3-15,17-18H,2,16,29H2,1H3.
What are the key properties of 4-[2-[amino(propyl)boranyl]phenyl]-2-(2-chlorophenyl)-6-phenylpyridine?
4-[2-[amino(propyl)boranyl]phenyl]-2-(2-chlorophenyl)-6-phenylpyridine has a molecular weight of 410.76 g/mol, XLogP of 6.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[amino(propyl)boranyl]phenyl]-2-(2-chlorophenyl)-6-phenylpyridine is sourced from PubChem (CID 142128339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).