[4-[3-[4-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]quinolin-7-yl]phenyl]phosphane

C32H21N2OP — CID 170291710

IUPAC[4-[3-[4-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]quinolin-7-yl]phenyl]phosphane
SMILESPc1ccc(-c2ccc3cc(-c4ccc(-c5ccc6oc7ncccc7c6c5)cc4)cnc3c2)cc1
InChIInChI=1S/C32H21N2OP/c36-27-12-9-21(10-13-27)24-7-8-25-16-26(19-34-30(25)18-24)22-5-3-20(4-6-22)23-11-14-31-29(17-23)28-2-1-15-33-32(28)35-31/h1-19H,36H2
InChIKeyRIRUWKVLVODXTP-UHFFFAOYSA-N
MW480.51 g/mol
LogP8.03
Rot. Bonds3

About [4-[3-[4-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]quinolin-7-yl]phenyl]phosphane

[4-[3-[4-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]quinolin-7-yl]phenyl]phosphane (PubChem CID 170291710) has the molecular formula C32H21N2OP and a molecular weight of 480.51 g/mol. Its IUPAC name is [4-[3-[4-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]quinolin-7-yl]phenyl]phosphane.

Molecular Properties

Compound Name[4-[3-[4-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]quinolin-7-yl]phenyl]phosphane
PubChem CID170291710
Molecular FormulaC32H21N2OP
Molecular Weight480.51 g/mol
Exact Mass480.14
IUPAC Name[4-[3-[4-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]quinolin-7-yl]phenyl]phosphane
SMILESPc1ccc(-c2ccc3cc(-c4ccc(-c5ccc6oc7ncccc7c6c5)cc4)cnc3c2)cc1
InChIInChI=1S/C32H21N2OP/c36-27-12-9-21(10-13-27)24-7-8-25-16-26(19-34-30(25)18-24)22-5-3-20(4-6-22)23-11-14-31-29(17-23)28-2-1-15-33-32(28)35-31/h1-19H,36H2
InChIKeyRIRUWKVLVODXTP-UHFFFAOYSA-N
XLogP8.03
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.51
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[3-[8-([1]benzofuro[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]phenyl]-[1]benzofuro[2,3-b]pyridine;6-[3-[3-[8-([1]benzofuro[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]pyridine;6-[3-[3-[3-[8-([1]benzofuro[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-b]pyridine;6-[3-[3-[3-[3-[8-([1]benzofuro[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-b]pyridine
CID 167645998
[4-[7-[6-([1]benzofuro[2,3-b]pyridin-6-yl)-3-pyridinyl]naphthalen-2-yl]phenyl]-trimethylsilane
CID 169294079
[4-[7-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]naphthalen-2-yl]phenyl]phosphane
CID 170293837
4-([1]benzofuro[2,3-b]pyridin-7-yl)-N,N-bis[4-(1,5-naphthyridin-3-yl)phenyl]aniline
CID 168765872
8-[5-[7-(4-fluorophenyl)quinolin-3-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 169293885
14-phenyl-7-(3-phenylquinolin-7-yl)-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene
CID 166009728
3-(6-dibenzofuran-2-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline
CID 169293939
6-[8-([1]benzofuro[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]sulfanyl-[1]benzofuro[2,3-b]pyridine
CID 90250541
[4-[3-(6-dibenzofuran-2-yl-3-pyridinyl)quinolin-7-yl]phenyl]-trimethylsilane
CID 169293694
3-(4-dibenzofuran-4-ylphenyl)-7-(4-fluorophenyl)quinoline
CID 169293776
2-[4-(6-dibenzofuran-2-ylnaphthalen-2-yl)phenyl]pyridine
CID 171056233
7-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 166802118

Frequently Asked Questions

What is the IUPAC name of [4-[3-[4-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]quinolin-7-yl]phenyl]phosphane?
The IUPAC name of [4-[3-[4-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]quinolin-7-yl]phenyl]phosphane (CID 170291710) is [4-[3-[4-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]quinolin-7-yl]phenyl]phosphane.
What is the SMILES notation for [4-[3-[4-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]quinolin-7-yl]phenyl]phosphane?
The canonical SMILES for [4-[3-[4-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]quinolin-7-yl]phenyl]phosphane is Pc1ccc(-c2ccc3cc(-c4ccc(-c5ccc6oc7ncccc7c6c5)cc4)cnc3c2)cc1.
What is the InChIKey of [4-[3-[4-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]quinolin-7-yl]phenyl]phosphane?
The InChIKey is RIRUWKVLVODXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N2OP/c36-27-12-9-21(10-13-27)24-7-8-25-16-26(19-34-30(25)18-24)22-5-3-20(4-6-22)23-11-14-31-29(17-23)28-2-1-15-33-32(28)35-31/h1-19H,36H2.
What are the key properties of [4-[3-[4-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]quinolin-7-yl]phenyl]phosphane?
[4-[3-[4-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]quinolin-7-yl]phenyl]phosphane has a molecular weight of 480.51 g/mol, XLogP of 8.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[4-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]quinolin-7-yl]phenyl]phosphane is sourced from PubChem (CID 170291710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).