[4-[7-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]naphthalen-2-yl]phenyl]phosphane

C33H22NOP — CID 170293837

IUPAC[4-[7-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]naphthalen-2-yl]phenyl]phosphane
SMILESPc1ccc(-c2ccc3ccc(-c4ccc(-c5cccc6c5oc5ncccc56)cc4)cc3c2)cc1
InChIInChI=1S/C33H22NOP/c36-28-16-14-22(15-17-28)26-13-9-23-8-12-25(19-27(23)20-26)21-6-10-24(11-7-21)29-3-1-4-30-31-5-2-18-34-33(31)35-32(29)30/h1-20H,36H2
InChIKeyIFGQGWNFRDKTMS-UHFFFAOYSA-N
MW479.52 g/mol
LogP8.64
Rot. Bonds3

About [4-[7-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]naphthalen-2-yl]phenyl]phosphane

[4-[7-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]naphthalen-2-yl]phenyl]phosphane (PubChem CID 170293837) has the molecular formula C33H22NOP and a molecular weight of 479.52 g/mol. Its IUPAC name is [4-[7-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]naphthalen-2-yl]phenyl]phosphane.

Molecular Properties

Compound Name[4-[7-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]naphthalen-2-yl]phenyl]phosphane
PubChem CID170293837
Molecular FormulaC33H22NOP
Molecular Weight479.52 g/mol
Exact Mass479.14
IUPAC Name[4-[7-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]naphthalen-2-yl]phenyl]phosphane
SMILESPc1ccc(-c2ccc3ccc(-c4ccc(-c5cccc6c5oc5ncccc56)cc4)cc3c2)cc1
InChIInChI=1S/C33H22NOP/c36-28-16-14-22(15-17-28)26-13-9-23-8-12-25(19-27(23)20-26)21-6-10-24(11-7-21)29-3-1-4-30-31-5-2-18-34-33(31)35-32(29)30/h1-20H,36H2
InChIKeyIFGQGWNFRDKTMS-UHFFFAOYSA-N
XLogP8.64
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.52
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-[4-[6-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]-[1]benzofuro[2,3-b]pyridine
CID 170293616
8-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-b]pyridine
CID 90139251
N-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 168738216
[4-[3-[4-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]quinolin-7-yl]phenyl]phosphane
CID 170291710
8-[4-(1,1,1-trideuteriopropan-2-yl)phenyl]-[1]benzofuro[2,3-b]pyridine
CID 158808732
8-[5-[7-(4-fluorophenyl)quinolin-3-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 169293885
[4-[7-(4-dibenzofuran-4-ylphenyl)naphthalen-2-yl]phenyl]-trimethylsilane
CID 169293942
N-fluoranthen-2-yl-N-(4-naphthalen-2-ylphenyl)-[1]benzofuro[2,3-b]pyridin-8-amine
CID 166860611
N-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-3-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 170177249
N-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-4-phenanthren-2-yl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]aniline
CID 171463423
4-([1]benzofuro[2,3-b]pyridin-8-yl)-N,N-bis(4-cinnolin-3-ylphenyl)aniline
CID 168765748
4-[4-[6-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170289932

Frequently Asked Questions

What is the IUPAC name of [4-[7-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]naphthalen-2-yl]phenyl]phosphane?
The IUPAC name of [4-[7-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]naphthalen-2-yl]phenyl]phosphane (CID 170293837) is [4-[7-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]naphthalen-2-yl]phenyl]phosphane.
What is the SMILES notation for [4-[7-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]naphthalen-2-yl]phenyl]phosphane?
The canonical SMILES for [4-[7-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]naphthalen-2-yl]phenyl]phosphane is Pc1ccc(-c2ccc3ccc(-c4ccc(-c5cccc6c5oc5ncccc56)cc4)cc3c2)cc1.
What is the InChIKey of [4-[7-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]naphthalen-2-yl]phenyl]phosphane?
The InChIKey is IFGQGWNFRDKTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22NOP/c36-28-16-14-22(15-17-28)26-13-9-23-8-12-25(19-27(23)20-26)21-6-10-24(11-7-21)29-3-1-4-30-31-5-2-18-34-33(31)35-32(29)30/h1-20H,36H2.
What are the key properties of [4-[7-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]naphthalen-2-yl]phenyl]phosphane?
[4-[7-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]naphthalen-2-yl]phenyl]phosphane has a molecular weight of 479.52 g/mol, XLogP of 8.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[7-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]naphthalen-2-yl]phenyl]phosphane is sourced from PubChem (CID 170293837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).