2-(5-methylbenzo[b]phosphindol-4-yl)-6-phenylpyridine

C24H18NP — CID 140916705

IUPAC2-(5-methylbenzo[b]phosphindol-4-yl)-6-phenylpyridine
SMILESCp1c2ccccc2c2cccc(-c3cccc(-c4ccccc4)n3)c21
InChIInChI=1S/C24H18NP/c1-26-23-16-6-5-11-18(23)19-12-7-13-20(24(19)26)22-15-8-14-21(25-22)17-9-3-2-4-10-17/h2-16H,1H3
InChIKeyPWPXYAXQOISFCX-UHFFFAOYSA-N
MW351.39 g/mol
LogP7.25
Rot. Bonds2

About 2-(5-methylbenzo[b]phosphindol-4-yl)-6-phenylpyridine

2-(5-methylbenzo[b]phosphindol-4-yl)-6-phenylpyridine (PubChem CID 140916705) has the molecular formula C24H18NP and a molecular weight of 351.39 g/mol. Its IUPAC name is 2-(5-methylbenzo[b]phosphindol-4-yl)-6-phenylpyridine.

Molecular Properties

Compound Name2-(5-methylbenzo[b]phosphindol-4-yl)-6-phenylpyridine
PubChem CID140916705
Molecular FormulaC24H18NP
Molecular Weight351.39 g/mol
Exact Mass351.12
IUPAC Name2-(5-methylbenzo[b]phosphindol-4-yl)-6-phenylpyridine
SMILESCp1c2ccccc2c2cccc(-c3cccc(-c4ccccc4)n3)c21
InChIInChI=1S/C24H18NP/c1-26-23-16-6-5-11-18(23)19-12-7-13-20(24(19)26)22-15-8-14-21(25-22)17-9-3-2-4-10-17/h2-16H,1H3
InChIKeyPWPXYAXQOISFCX-UHFFFAOYSA-N
XLogP7.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.39
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylbenzo[b]phosphindol-4-yl)-6-phenylpyridine?
The IUPAC name of 2-(5-methylbenzo[b]phosphindol-4-yl)-6-phenylpyridine (CID 140916705) is 2-(5-methylbenzo[b]phosphindol-4-yl)-6-phenylpyridine.
What is the SMILES notation for 2-(5-methylbenzo[b]phosphindol-4-yl)-6-phenylpyridine?
The canonical SMILES for 2-(5-methylbenzo[b]phosphindol-4-yl)-6-phenylpyridine is Cp1c2ccccc2c2cccc(-c3cccc(-c4ccccc4)n3)c21.
What is the InChIKey of 2-(5-methylbenzo[b]phosphindol-4-yl)-6-phenylpyridine?
The InChIKey is PWPXYAXQOISFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18NP/c1-26-23-16-6-5-11-18(23)19-12-7-13-20(24(19)26)22-15-8-14-21(25-22)17-9-3-2-4-10-17/h2-16H,1H3.
What are the key properties of 2-(5-methylbenzo[b]phosphindol-4-yl)-6-phenylpyridine?
2-(5-methylbenzo[b]phosphindol-4-yl)-6-phenylpyridine has a molecular weight of 351.39 g/mol, XLogP of 7.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylbenzo[b]phosphindol-4-yl)-6-phenylpyridine is sourced from PubChem (CID 140916705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).