4-deuterio-2-[3-(5-pyridin-2-ylbenzo[b]phosphindol-3-yl)phenoxy]pyridine

C28H19N2OP — CID 153421293

IUPAC4-deuterio-2-[3-(5-pyridin-2-ylbenzo[b]phosphindol-3-yl)phenoxy]pyridine
SMILES[2H]c1ccnc(Oc2cccc(-c3ccc4c5ccccc5p(-c5ccccn5)c4c3)c2)c1
InChIInChI=1S/C28H19N2OP/c1-2-11-25-23(10-1)24-15-14-21(19-26(24)32(25)28-13-4-6-17-30-28)20-8-7-9-22(18-20)31-27-12-3-5-16-29-27/h1-19H/i3D
InChIKeyIVBHWLVTKDFSLX-WFVSFCRTSA-N
MW431.45 g/mol
LogP8.22
Rot. Bonds4

About 4-deuterio-2-[3-(5-pyridin-2-ylbenzo[b]phosphindol-3-yl)phenoxy]pyridine

4-deuterio-2-[3-(5-pyridin-2-ylbenzo[b]phosphindol-3-yl)phenoxy]pyridine (PubChem CID 153421293) has the molecular formula C28H19N2OP and a molecular weight of 431.45 g/mol. Its IUPAC name is 4-deuterio-2-[3-(5-pyridin-2-ylbenzo[b]phosphindol-3-yl)phenoxy]pyridine.

Molecular Properties

Compound Name4-deuterio-2-[3-(5-pyridin-2-ylbenzo[b]phosphindol-3-yl)phenoxy]pyridine
PubChem CID153421293
Molecular FormulaC28H19N2OP
Molecular Weight431.45 g/mol
Exact Mass431.13
IUPAC Name4-deuterio-2-[3-(5-pyridin-2-ylbenzo[b]phosphindol-3-yl)phenoxy]pyridine
SMILES[2H]c1ccnc(Oc2cccc(-c3ccc4c5ccccc5p(-c5ccccn5)c4c3)c2)c1
InChIInChI=1S/C28H19N2OP/c1-2-11-25-23(10-1)24-15-14-21(19-26(24)32(25)28-13-4-6-17-30-28)20-8-7-9-22(18-20)31-27-12-3-5-16-29-27/h1-19H/i3D
InChIKeyIVBHWLVTKDFSLX-WFVSFCRTSA-N
XLogP8.22
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.45
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-6-[3-(3-pyridin-2-yloxyphenyl)benzo[b]phosphindol-5-yl]pyridine
CID 153421853
3-methyl-2-[3-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]benzo[b]phosphindol-5-yl]pyridine
CID 153421435
9-(3,4-dideuterio-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421326
9-(5-deuterio-2-pyridinyl)-2-[3-[(4-deuterio-2-pyridinyl)oxy]phenyl]carbazole
CID 153421368
9-(3,5-dideuterio-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421777
2-[3-(3-pyridin-2-yloxyphenoxy)phenyl]pyridine
CID 67464516
2-(3-pyridin-2-yloxyphenyl)-9-(1,2,4-triazin-3-yl)carbazole
CID 153421215
2-[3-[4-(4-phenylphenyl)-1H-pyrrol-2-yl]phenoxy]pyridine
CID 140818851
9-(3-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421221
2-pyridin-2-yloxy-6-(3-pyridin-2-yloxyphenyl)pyridine
CID 158819079
2-[3-[(4-methoxy-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole
CID 153421155
9-(4-propan-2-yl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421041

Frequently Asked Questions

What is the IUPAC name of 4-deuterio-2-[3-(5-pyridin-2-ylbenzo[b]phosphindol-3-yl)phenoxy]pyridine?
The IUPAC name of 4-deuterio-2-[3-(5-pyridin-2-ylbenzo[b]phosphindol-3-yl)phenoxy]pyridine (CID 153421293) is 4-deuterio-2-[3-(5-pyridin-2-ylbenzo[b]phosphindol-3-yl)phenoxy]pyridine.
What is the SMILES notation for 4-deuterio-2-[3-(5-pyridin-2-ylbenzo[b]phosphindol-3-yl)phenoxy]pyridine?
The canonical SMILES for 4-deuterio-2-[3-(5-pyridin-2-ylbenzo[b]phosphindol-3-yl)phenoxy]pyridine is [2H]c1ccnc(Oc2cccc(-c3ccc4c5ccccc5p(-c5ccccn5)c4c3)c2)c1.
What is the InChIKey of 4-deuterio-2-[3-(5-pyridin-2-ylbenzo[b]phosphindol-3-yl)phenoxy]pyridine?
The InChIKey is IVBHWLVTKDFSLX-WFVSFCRTSA-N. The full InChI is InChI=1S/C28H19N2OP/c1-2-11-25-23(10-1)24-15-14-21(19-26(24)32(25)28-13-4-6-17-30-28)20-8-7-9-22(18-20)31-27-12-3-5-16-29-27/h1-19H/i3D.
What are the key properties of 4-deuterio-2-[3-(5-pyridin-2-ylbenzo[b]phosphindol-3-yl)phenoxy]pyridine?
4-deuterio-2-[3-(5-pyridin-2-ylbenzo[b]phosphindol-3-yl)phenoxy]pyridine has a molecular weight of 431.45 g/mol, XLogP of 8.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-deuterio-2-[3-(5-pyridin-2-ylbenzo[b]phosphindol-3-yl)phenoxy]pyridine is sourced from PubChem (CID 153421293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).