4-[9-(4-diphenylphosphorylphenyl)dibenzofuran-2-yl]-2,6-dipyridin-2-ylpyridine

C45H30N3O2P — CID 147120675

IUPAC4-[9-(4-diphenylphosphorylphenyl)dibenzofuran-2-yl]-2,6-dipyridin-2-ylpyridine
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cccc3oc4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4c23)cc1
InChIInChI=1S/C45H30N3O2P/c49-51(34-12-3-1-4-13-34,35-14-5-2-6-15-35)36-23-20-31(21-24-36)37-16-11-19-44-45(37)38-28-32(22-25-43(38)50-44)33-29-41(39-17-7-9-26-46-39)48-42(30-33)40-18-8-10-27-47-40/h1-30H
InChIKeyBOHHRZPFERDXJO-UHFFFAOYSA-N
MW675.73 g/mol
LogP10.08
Rot. Bonds7

About 4-[9-(4-diphenylphosphorylphenyl)dibenzofuran-2-yl]-2,6-dipyridin-2-ylpyridine

4-[9-(4-diphenylphosphorylphenyl)dibenzofuran-2-yl]-2,6-dipyridin-2-ylpyridine (PubChem CID 147120675) has the molecular formula C45H30N3O2P and a molecular weight of 675.73 g/mol. Its IUPAC name is 4-[9-(4-diphenylphosphorylphenyl)dibenzofuran-2-yl]-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-[9-(4-diphenylphosphorylphenyl)dibenzofuran-2-yl]-2,6-dipyridin-2-ylpyridine
PubChem CID147120675
Molecular FormulaC45H30N3O2P
Molecular Weight675.73 g/mol
Exact Mass675.21
IUPAC Name4-[9-(4-diphenylphosphorylphenyl)dibenzofuran-2-yl]-2,6-dipyridin-2-ylpyridine
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cccc3oc4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4c23)cc1
InChIInChI=1S/C45H30N3O2P/c49-51(34-12-3-1-4-13-34,35-14-5-2-6-15-35)36-23-20-31(21-24-36)37-16-11-19-44-45(37)38-28-32(22-25-43(38)50-44)33-29-41(39-17-7-9-26-46-39)48-42(30-33)40-18-8-10-27-47-40/h1-30H
InChIKeyBOHHRZPFERDXJO-UHFFFAOYSA-N
XLogP10.08
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.73
LogP ≤ 510.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[3-[9-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]phenyl]pyridine
CID 140814590
2,4-diphenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]pyridine
CID 134198825
2-dibenzofuran-4-yl-4-phenyl-6-[8-(4-pyridin-2-ylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142353224
4-[4-[2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364716
2-phenyl-4-(3-phenylphenyl)-6-[9-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166952469
7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile
CID 164835003
2-[8-(4-fluoranthen-3-ylphenyl)dibenzofuran-1-yl]-4,6-diphenylpyridine
CID 146396782
4-[7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphtho[1,2-b][1]benzofuran-5-yl]benzonitrile
CID 164834760
2,6-diphenyl-4-(8-pyren-2-yldibenzofuran-1-yl)pyridine
CID 142515561
6-[3-(4-diphenylphosphorylphenyl)phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]
CID 163988841
1-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline
CID 149128758
6-(4-diphenylphosphorylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 138650767

Frequently Asked Questions

What is the IUPAC name of 4-[9-(4-diphenylphosphorylphenyl)dibenzofuran-2-yl]-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4-[9-(4-diphenylphosphorylphenyl)dibenzofuran-2-yl]-2,6-dipyridin-2-ylpyridine (CID 147120675) is 4-[9-(4-diphenylphosphorylphenyl)dibenzofuran-2-yl]-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-[9-(4-diphenylphosphorylphenyl)dibenzofuran-2-yl]-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4-[9-(4-diphenylphosphorylphenyl)dibenzofuran-2-yl]-2,6-dipyridin-2-ylpyridine is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cccc3oc4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4c23)cc1.
What is the InChIKey of 4-[9-(4-diphenylphosphorylphenyl)dibenzofuran-2-yl]-2,6-dipyridin-2-ylpyridine?
The InChIKey is BOHHRZPFERDXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N3O2P/c49-51(34-12-3-1-4-13-34,35-14-5-2-6-15-35)36-23-20-31(21-24-36)37-16-11-19-44-45(37)38-28-32(22-25-43(38)50-44)33-29-41(39-17-7-9-26-46-39)48-42(30-33)40-18-8-10-27-47-40/h1-30H.
What are the key properties of 4-[9-(4-diphenylphosphorylphenyl)dibenzofuran-2-yl]-2,6-dipyridin-2-ylpyridine?
4-[9-(4-diphenylphosphorylphenyl)dibenzofuran-2-yl]-2,6-dipyridin-2-ylpyridine has a molecular weight of 675.73 g/mol, XLogP of 10.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(4-diphenylphosphorylphenyl)dibenzofuran-2-yl]-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 147120675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).