1-[2-(3,5-diphenylphenyl)naphthalen-1-yl]naphthalen-2-ol;phosphoric acid

C38H29O5P — CID 174991429

IUPAC1-[2-(3,5-diphenylphenyl)naphthalen-1-yl]naphthalen-2-ol;phosphoric acid
SMILESO=P(O)(O)O.Oc1ccc2ccccc2c1-c1c(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)ccc2ccccc12
InChIInChI=1S/C38H26O.H3O4P/c39-36-22-20-29-16-8-10-18-34(29)38(36)37-33-17-9-7-15-28(33)19-21-35(37)32-24-30(26-11-3-1-4-12-26)23-31(25-32)27-13-5-2-6-14-27;1-5(2,3)4/h1-25,39H;(H3,1,2,3,4)
InChIKeyFMNQQKBKCRKLQG-UHFFFAOYSA-N
MW596.62 g/mol
LogP9.44
Rot. Bonds4

About 1-[2-(3,5-diphenylphenyl)naphthalen-1-yl]naphthalen-2-ol;phosphoric acid

1-[2-(3,5-diphenylphenyl)naphthalen-1-yl]naphthalen-2-ol;phosphoric acid (PubChem CID 174991429) has the molecular formula C38H29O5P and a molecular weight of 596.62 g/mol. Its IUPAC name is 1-[2-(3,5-diphenylphenyl)naphthalen-1-yl]naphthalen-2-ol;phosphoric acid.

Molecular Properties

Compound Name1-[2-(3,5-diphenylphenyl)naphthalen-1-yl]naphthalen-2-ol;phosphoric acid
PubChem CID174991429
Molecular FormulaC38H29O5P
Molecular Weight596.62 g/mol
Exact Mass596.18
IUPAC Name1-[2-(3,5-diphenylphenyl)naphthalen-1-yl]naphthalen-2-ol;phosphoric acid
SMILESO=P(O)(O)O.Oc1ccc2ccccc2c1-c1c(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)ccc2ccccc12
InChIInChI=1S/C38H26O.H3O4P/c39-36-22-20-29-16-8-10-18-34(29)38(36)37-33-17-9-7-15-28(33)19-21-35(37)32-24-30(26-11-3-1-4-12-26)23-31(25-32)27-13-5-2-6-14-27;1-5(2,3)4/h1-25,39H;(H3,1,2,3,4)
InChIKeyFMNQQKBKCRKLQG-UHFFFAOYSA-N
XLogP9.44
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.62
LogP ≤ 59.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] dihydrogen phosphate
CID 15162418
1,2-diphenylnaphthalene
CID 11208267
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid
CID 173338729
1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-ol
CID 156562288
diphenylarsorylbenzene;gadolinium(3+);1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 11468369
9,10-bis[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413167
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;methoxymethane
CID 20848816
1-(2-hydroxynaphthalen-1-yl)-3-methyl-6-phenylnaphthalen-2-ol
CID 58219531
bis(naphthalen-1-ol);phosphoric acid
CID 174499172
1-(2-hydroxynaphthalen-1-yl)-7-(2-phenyl-5-propan-2-ylphenyl)naphthalen-2-ol
CID 166754778
1-phenylbenzo[c]phenanthrene-5,6-dione
CID 10892989
1-(2-diethylphosphorylnaphthalen-1-yl)naphthalen-2-ol
CID 102399892

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-diphenylphenyl)naphthalen-1-yl]naphthalen-2-ol;phosphoric acid?
The IUPAC name of 1-[2-(3,5-diphenylphenyl)naphthalen-1-yl]naphthalen-2-ol;phosphoric acid (CID 174991429) is 1-[2-(3,5-diphenylphenyl)naphthalen-1-yl]naphthalen-2-ol;phosphoric acid.
What is the SMILES notation for 1-[2-(3,5-diphenylphenyl)naphthalen-1-yl]naphthalen-2-ol;phosphoric acid?
The canonical SMILES for 1-[2-(3,5-diphenylphenyl)naphthalen-1-yl]naphthalen-2-ol;phosphoric acid is O=P(O)(O)O.Oc1ccc2ccccc2c1-c1c(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)ccc2ccccc12.
What is the InChIKey of 1-[2-(3,5-diphenylphenyl)naphthalen-1-yl]naphthalen-2-ol;phosphoric acid?
The InChIKey is FMNQQKBKCRKLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26O.H3O4P/c39-36-22-20-29-16-8-10-18-34(29)38(36)37-33-17-9-7-15-28(33)19-21-35(37)32-24-30(26-11-3-1-4-12-26)23-31(25-32)27-13-5-2-6-14-27;1-5(2,3)4/h1-25,39H;(H3,1,2,3,4).
What are the key properties of 1-[2-(3,5-diphenylphenyl)naphthalen-1-yl]naphthalen-2-ol;phosphoric acid?
1-[2-(3,5-diphenylphenyl)naphthalen-1-yl]naphthalen-2-ol;phosphoric acid has a molecular weight of 596.62 g/mol, XLogP of 9.44, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-diphenylphenyl)naphthalen-1-yl]naphthalen-2-ol;phosphoric acid is sourced from PubChem (CID 174991429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).