2-diphenylphosphanyl-8-phenylnaphthalen-1-ol

C28H21OP — CID 171398165

IUPAC2-diphenylphosphanyl-8-phenylnaphthalen-1-ol
SMILESOc1c(P(c2ccccc2)c2ccccc2)ccc2cccc(-c3ccccc3)c12
InChIInChI=1S/C28H21OP/c29-28-26(30(23-14-6-2-7-15-23)24-16-8-3-9-17-24)20-19-22-13-10-18-25(27(22)28)21-11-4-1-5-12-21/h1-20,29H
InChIKeyDICQPZOIHWABGK-UHFFFAOYSA-N
MW404.45 g/mol
LogP5.97
Rot. Bonds4

About 2-diphenylphosphanyl-8-phenylnaphthalen-1-ol

2-diphenylphosphanyl-8-phenylnaphthalen-1-ol (PubChem CID 171398165) has the molecular formula C28H21OP and a molecular weight of 404.45 g/mol. Its IUPAC name is 2-diphenylphosphanyl-8-phenylnaphthalen-1-ol.

Molecular Properties

Compound Name2-diphenylphosphanyl-8-phenylnaphthalen-1-ol
PubChem CID171398165
Molecular FormulaC28H21OP
Molecular Weight404.45 g/mol
Exact Mass404.13
IUPAC Name2-diphenylphosphanyl-8-phenylnaphthalen-1-ol
SMILESOc1c(P(c2ccccc2)c2ccccc2)ccc2cccc(-c3ccccc3)c12
InChIInChI=1S/C28H21OP/c29-28-26(30(23-14-6-2-7-15-23)24-16-8-3-9-17-24)20-19-22-13-10-18-25(27(22)28)21-11-4-1-5-12-21/h1-20,29H
InChIKeyDICQPZOIHWABGK-UHFFFAOYSA-N
XLogP5.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.45
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

diphenyl-[4-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-1-yl]phosphane
CID 144896174
(6-diphenylphosphanyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-10-yl)-diphenylphosphane
CID 11039191
benzo[e]azulen-10-ol
CID 140974597
5-diphenylphosphanylphenanthrene-4-thiol
CID 118404150
perylen-3-yl(diphenyl)phosphane
CID 91193138
benzo[k]fluoranthen-3-yl-phenyl-(3-phenylphenyl)phosphane
CID 144896423
1,8-bis(6-phenylnaphthalen-2-yl)naphthalene
CID 123306043
2-diphenylphosphanyl-6-methoxyphenol
CID 58759318
(4-methylphenyl)-phenyl-pyren-1-ylphosphane
CID 101061260
8-diphenylphosphanylnaphthalene-1-thiol
CID 58555902
boric acid;diphenyl-(2,3,4-triphenylphenyl)phosphane
CID 159748341
2-[(4-chloro-2-diphenylphosphanylphenyl)iminomethyl]-6-phenylphenol
CID 140560518

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphanyl-8-phenylnaphthalen-1-ol?
The IUPAC name of 2-diphenylphosphanyl-8-phenylnaphthalen-1-ol (CID 171398165) is 2-diphenylphosphanyl-8-phenylnaphthalen-1-ol.
What is the SMILES notation for 2-diphenylphosphanyl-8-phenylnaphthalen-1-ol?
The canonical SMILES for 2-diphenylphosphanyl-8-phenylnaphthalen-1-ol is Oc1c(P(c2ccccc2)c2ccccc2)ccc2cccc(-c3ccccc3)c12.
What is the InChIKey of 2-diphenylphosphanyl-8-phenylnaphthalen-1-ol?
The InChIKey is DICQPZOIHWABGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21OP/c29-28-26(30(23-14-6-2-7-15-23)24-16-8-3-9-17-24)20-19-22-13-10-18-25(27(22)28)21-11-4-1-5-12-21/h1-20,29H.
What are the key properties of 2-diphenylphosphanyl-8-phenylnaphthalen-1-ol?
2-diphenylphosphanyl-8-phenylnaphthalen-1-ol has a molecular weight of 404.45 g/mol, XLogP of 5.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanyl-8-phenylnaphthalen-1-ol is sourced from PubChem (CID 171398165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).