(2,3-diphenylnaphthalen-1-yl) dihydrogen phosphate

C22H17O4P — CID 141077100

IUPAC(2,3-diphenylnaphthalen-1-yl) dihydrogen phosphate
SMILESO=P(O)(O)Oc1c(-c2ccccc2)c(-c2ccccc2)cc2ccccc12
InChIInChI=1S/C22H17O4P/c23-27(24,25)26-22-19-14-8-7-13-18(19)15-20(16-9-3-1-4-10-16)21(22)17-11-5-2-6-12-17/h1-15H,(H2,23,24,25)
InChIKeyKQJYSQVOTVCJKG-UHFFFAOYSA-N
MW376.35 g/mol
LogP5.65
Rot. Bonds4

About (2,3-diphenylnaphthalen-1-yl) dihydrogen phosphate

(2,3-diphenylnaphthalen-1-yl) dihydrogen phosphate (PubChem CID 141077100) has the molecular formula C22H17O4P and a molecular weight of 376.35 g/mol. Its IUPAC name is (2,3-diphenylnaphthalen-1-yl) dihydrogen phosphate.

Molecular Properties

Compound Name(2,3-diphenylnaphthalen-1-yl) dihydrogen phosphate
PubChem CID141077100
Molecular FormulaC22H17O4P
Molecular Weight376.35 g/mol
Exact Mass376.09
IUPAC Name(2,3-diphenylnaphthalen-1-yl) dihydrogen phosphate
SMILESO=P(O)(O)Oc1c(-c2ccccc2)c(-c2ccccc2)cc2ccccc12
InChIInChI=1S/C22H17O4P/c23-27(24,25)26-22-19-14-8-7-13-18(19)15-20(16-9-3-1-4-10-16)21(22)17-11-5-2-6-12-17/h1-15H,(H2,23,24,25)
InChIKeyKQJYSQVOTVCJKG-UHFFFAOYSA-N
XLogP5.65
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.35
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(1-phosphonooxynaphthalen-2-yl)naphthalen-1-yl] dihydrogen phosphate
CID 54196807
(3,5-dihydroxy-2,4,6-triphenylphenyl) dihydrogen phosphate
CID 10003019
(1-ethyl-2-oxo-3-phenylquinolin-4-yl) dihydrogen phosphate
CID 139216427
(2-phenylphenyl) dihydrogen phosphate
CID 19371408
3-(4-methylphenyl)-1,2-diphenylnaphthalene
CID 178068265
2-chloro-1,3-diphenylnaphthalene
CID 12697982
dichlorotitanium;1-(2-hydroxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-ol
CID 58639284
9-phenanthren-9-yl-10-phenylanthracene
CID 59592440
(2-benzyl-6-phenylphenyl) dihydrogen phosphate
CID 141022592
1-naphthalen-1-yl-3-phenylnaphthalen-2-ol
CID 11982733
9-[4-[2,3,4,5,6-pentakis(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenanthrene
CID 23530038
2-(1,3-diphenylanthracen-2-yl)-1,3-diphenylanthracene
CID 173204164

Frequently Asked Questions

What is the IUPAC name of (2,3-diphenylnaphthalen-1-yl) dihydrogen phosphate?
The IUPAC name of (2,3-diphenylnaphthalen-1-yl) dihydrogen phosphate (CID 141077100) is (2,3-diphenylnaphthalen-1-yl) dihydrogen phosphate.
What is the SMILES notation for (2,3-diphenylnaphthalen-1-yl) dihydrogen phosphate?
The canonical SMILES for (2,3-diphenylnaphthalen-1-yl) dihydrogen phosphate is O=P(O)(O)Oc1c(-c2ccccc2)c(-c2ccccc2)cc2ccccc12.
What is the InChIKey of (2,3-diphenylnaphthalen-1-yl) dihydrogen phosphate?
The InChIKey is KQJYSQVOTVCJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17O4P/c23-27(24,25)26-22-19-14-8-7-13-18(19)15-20(16-9-3-1-4-10-16)21(22)17-11-5-2-6-12-17/h1-15H,(H2,23,24,25).
What are the key properties of (2,3-diphenylnaphthalen-1-yl) dihydrogen phosphate?
(2,3-diphenylnaphthalen-1-yl) dihydrogen phosphate has a molecular weight of 376.35 g/mol, XLogP of 5.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diphenylnaphthalen-1-yl) dihydrogen phosphate is sourced from PubChem (CID 141077100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).