(2,3-dinaphthalen-2-ylphenyl) dihydrogen phosphate

C26H19O4P — CID 68585112

IUPAC(2,3-dinaphthalen-2-ylphenyl) dihydrogen phosphate
SMILESO=P(O)(O)Oc1cccc(-c2ccc3ccccc3c2)c1-c1ccc2ccccc2c1
InChIInChI=1S/C26H19O4P/c27-31(28,29)30-25-11-5-10-24(22-14-12-18-6-1-3-8-20(18)16-22)26(25)23-15-13-19-7-2-4-9-21(19)17-23/h1-17H,(H2,27,28,29)
InChIKeyZFMIGWMYFXDCQI-UHFFFAOYSA-N
MW426.41 g/mol
LogP6.80
Rot. Bonds4

About (2,3-dinaphthalen-2-ylphenyl) dihydrogen phosphate

(2,3-dinaphthalen-2-ylphenyl) dihydrogen phosphate (PubChem CID 68585112) has the molecular formula C26H19O4P and a molecular weight of 426.41 g/mol. Its IUPAC name is (2,3-dinaphthalen-2-ylphenyl) dihydrogen phosphate.

Molecular Properties

Compound Name(2,3-dinaphthalen-2-ylphenyl) dihydrogen phosphate
PubChem CID68585112
Molecular FormulaC26H19O4P
Molecular Weight426.41 g/mol
Exact Mass426.10
IUPAC Name(2,3-dinaphthalen-2-ylphenyl) dihydrogen phosphate
SMILESO=P(O)(O)Oc1cccc(-c2ccc3ccccc3c2)c1-c1ccc2ccccc2c1
InChIInChI=1S/C26H19O4P/c27-31(28,29)30-25-11-5-10-24(22-14-12-18-6-1-3-8-20(18)16-22)26(25)23-15-13-19-7-2-4-9-21(19)17-23/h1-17H,(H2,27,28,29)
InChIKeyZFMIGWMYFXDCQI-UHFFFAOYSA-N
XLogP6.80
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.41
LogP ≤ 56.80
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

benzo[a]anthracen-4-yl dihydrogen phosphate
CID 175921011
2-(2-hydroxy-3-naphthalen-2-ylphenyl)-6-naphthalen-2-ylphenol
CID 24741043
(2-phenylphenyl) dihydrogen phosphate
CID 19371408
(2-naphthalen-2-ylphenoxy)boronic acid
CID 150538164
tris[2,3-bis(4-hydroxyphenyl)phenyl] phosphate
CID 66816478
9-naphthalen-2-yl-10-(2-naphthalen-2-yl-6-phenylphenyl)anthracene
CID 171447256
2-(2-naphthalen-2-ylphenoxy)acetic acid
CID 139923485
(2-chloro-3-phenylperoxyphenyl) dihydrogen phosphate
CID 172721380
9-[4-(2,6-diphenylphenyl)phenyl]-10-naphthalen-2-ylanthracene
CID 58965768
[2-(4-naphthalen-2-ylphenyl)phenyl] hydrogen carbonate
CID 66629221
2-naphthalen-2-yl-1-(2-naphthalen-2-ylnaphthalen-1-yl)naphthalene
CID 10744186
2-[2-[4-(4-chlorophenyl)phenyl]phenyl]naphthalene
CID 178067173

Frequently Asked Questions

What is the IUPAC name of (2,3-dinaphthalen-2-ylphenyl) dihydrogen phosphate?
The IUPAC name of (2,3-dinaphthalen-2-ylphenyl) dihydrogen phosphate (CID 68585112) is (2,3-dinaphthalen-2-ylphenyl) dihydrogen phosphate.
What is the SMILES notation for (2,3-dinaphthalen-2-ylphenyl) dihydrogen phosphate?
The canonical SMILES for (2,3-dinaphthalen-2-ylphenyl) dihydrogen phosphate is O=P(O)(O)Oc1cccc(-c2ccc3ccccc3c2)c1-c1ccc2ccccc2c1.
What is the InChIKey of (2,3-dinaphthalen-2-ylphenyl) dihydrogen phosphate?
The InChIKey is ZFMIGWMYFXDCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19O4P/c27-31(28,29)30-25-11-5-10-24(22-14-12-18-6-1-3-8-20(18)16-22)26(25)23-15-13-19-7-2-4-9-21(19)17-23/h1-17H,(H2,27,28,29).
What are the key properties of (2,3-dinaphthalen-2-ylphenyl) dihydrogen phosphate?
(2,3-dinaphthalen-2-ylphenyl) dihydrogen phosphate has a molecular weight of 426.41 g/mol, XLogP of 6.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dinaphthalen-2-ylphenyl) dihydrogen phosphate is sourced from PubChem (CID 68585112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).