2-[3-[2-(3-methyl-2H-imidazol-1-yl)-5-phenylbenzo[b][1,4]benzophosphaborinin-10-yl]phenoxy]pyridine

C33H27BN3OP — CID 153494999

IUPAC2-[3-[2-(3-methyl-2H-imidazol-1-yl)-5-phenylbenzo[b][1,4]benzophosphaborinin-10-yl]phenoxy]pyridine
SMILESCN1C=CN(c2ccc3c(c2)B(c2cccc(Oc4ccccn4)c2)c2ccccc2P3c2ccccc2)C1
InChIInChI=1S/C33H27BN3OP/c1-36-20-21-37(24-36)26-17-18-32-30(23-26)34(25-10-9-11-27(22-25)38-33-16-7-8-19-35-33)29-14-5-6-15-31(29)39(32)28-12-3-2-4-13-28/h2-23H,24H2,1H3
InChIKeyRFYNDMRHDIVAOZ-UHFFFAOYSA-N
MW523.39 g/mol
LogP3.64
Rot. Bonds5

About 2-[3-[2-(3-methyl-2H-imidazol-1-yl)-5-phenylbenzo[b][1,4]benzophosphaborinin-10-yl]phenoxy]pyridine

2-[3-[2-(3-methyl-2H-imidazol-1-yl)-5-phenylbenzo[b][1,4]benzophosphaborinin-10-yl]phenoxy]pyridine (PubChem CID 153494999) has the molecular formula C33H27BN3OP and a molecular weight of 523.39 g/mol. Its IUPAC name is 2-[3-[2-(3-methyl-2H-imidazol-1-yl)-5-phenylbenzo[b][1,4]benzophosphaborinin-10-yl]phenoxy]pyridine.

Molecular Properties

Compound Name2-[3-[2-(3-methyl-2H-imidazol-1-yl)-5-phenylbenzo[b][1,4]benzophosphaborinin-10-yl]phenoxy]pyridine
PubChem CID153494999
Molecular FormulaC33H27BN3OP
Molecular Weight523.39 g/mol
Exact Mass523.20
IUPAC Name2-[3-[2-(3-methyl-2H-imidazol-1-yl)-5-phenylbenzo[b][1,4]benzophosphaborinin-10-yl]phenoxy]pyridine
SMILESCN1C=CN(c2ccc3c(c2)B(c2cccc(Oc4ccccn4)c2)c2ccccc2P3c2ccccc2)C1
InChIInChI=1S/C33H27BN3OP/c1-36-20-21-37(24-36)26-17-18-32-30(23-26)34(25-10-9-11-27(22-25)38-33-16-7-8-19-35-33)29-14-5-6-15-31(29)39(32)28-12-3-2-4-13-28/h2-23H,24H2,1H3
InChIKeyRFYNDMRHDIVAOZ-UHFFFAOYSA-N
XLogP3.64
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.39
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[10-[3-(3-methyl-2H-imidazol-1-yl)phenyl]phenoxaphosphinin-2-yl]oxypyridine
CID 153495046
2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]dibenzofuran-1-yl]oxypyridine
CID 153431950
2-[3-(3-pyridin-2-yl-10H-benzo[b][1]benzoborinin-5-yl)phenoxy]pyridine
CID 158047489
ethane;2-phenoxypyridine
CID 90835857
2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-4-(3-phenoxyphenyl)-3-phenylpyridine
CID 168758447
2-[3-(4-dibenzothiophen-3-yl-3-methyl-2H-imidazol-1-yl)phenoxy]pyridine
CID 140819108
2-[3-(3-pyridin-2-yloxyphenoxy)phenyl]-3H-imidazo[1,5-a]pyridine
CID 153428414
2-(3-methyl-2H-imidazol-1-yl)-N-phenyl-N-(2-pyridin-2-yloxydibenzofuran-4-yl)dibenzofuran-4-amine
CID 139493678
3-methyl-1-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-tetrazole
CID 162299889
2-tert-butyl-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 162274973
4-methyl-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-5-pyridin-3-yl-1,3-thiazole
CID 140765089
2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-5-pyridin-3-yl-1,3-oxazole
CID 140729683

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(3-methyl-2H-imidazol-1-yl)-5-phenylbenzo[b][1,4]benzophosphaborinin-10-yl]phenoxy]pyridine?
The IUPAC name of 2-[3-[2-(3-methyl-2H-imidazol-1-yl)-5-phenylbenzo[b][1,4]benzophosphaborinin-10-yl]phenoxy]pyridine (CID 153494999) is 2-[3-[2-(3-methyl-2H-imidazol-1-yl)-5-phenylbenzo[b][1,4]benzophosphaborinin-10-yl]phenoxy]pyridine.
What is the SMILES notation for 2-[3-[2-(3-methyl-2H-imidazol-1-yl)-5-phenylbenzo[b][1,4]benzophosphaborinin-10-yl]phenoxy]pyridine?
The canonical SMILES for 2-[3-[2-(3-methyl-2H-imidazol-1-yl)-5-phenylbenzo[b][1,4]benzophosphaborinin-10-yl]phenoxy]pyridine is CN1C=CN(c2ccc3c(c2)B(c2cccc(Oc4ccccn4)c2)c2ccccc2P3c2ccccc2)C1.
What is the InChIKey of 2-[3-[2-(3-methyl-2H-imidazol-1-yl)-5-phenylbenzo[b][1,4]benzophosphaborinin-10-yl]phenoxy]pyridine?
The InChIKey is RFYNDMRHDIVAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27BN3OP/c1-36-20-21-37(24-36)26-17-18-32-30(23-26)34(25-10-9-11-27(22-25)38-33-16-7-8-19-35-33)29-14-5-6-15-31(29)39(32)28-12-3-2-4-13-28/h2-23H,24H2,1H3.
What are the key properties of 2-[3-[2-(3-methyl-2H-imidazol-1-yl)-5-phenylbenzo[b][1,4]benzophosphaborinin-10-yl]phenoxy]pyridine?
2-[3-[2-(3-methyl-2H-imidazol-1-yl)-5-phenylbenzo[b][1,4]benzophosphaborinin-10-yl]phenoxy]pyridine has a molecular weight of 523.39 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(3-methyl-2H-imidazol-1-yl)-5-phenylbenzo[b][1,4]benzophosphaborinin-10-yl]phenoxy]pyridine is sourced from PubChem (CID 153494999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).