6-diphenylphosphanyl-1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol

C28H20N3O3P — CID 177488821

IUPAC6-diphenylphosphanyl-1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol
SMILESO=[N+]([O-])c1ccc(/N=N/c2c(O)ccc3cc(P(c4ccccc4)c4ccccc4)ccc23)cc1
InChIInChI=1S/C28H20N3O3P/c32-27-18-11-20-19-25(35(23-7-3-1-4-8-23)24-9-5-2-6-10-24)16-17-26(20)28(27)30-29-21-12-14-22(15-13-21)31(33)34/h1-19,32H/b30-29+
InChIKeyXUPHBIFVPDOCJH-QVIHXGFCSA-N
MW477.46 g/mol
LogP6.63
Rot. Bonds6

About 6-diphenylphosphanyl-1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol

6-diphenylphosphanyl-1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol (PubChem CID 177488821) has the molecular formula C28H20N3O3P and a molecular weight of 477.46 g/mol. Its IUPAC name is 6-diphenylphosphanyl-1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol.

Molecular Properties

Compound Name6-diphenylphosphanyl-1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol
PubChem CID177488821
Molecular FormulaC28H20N3O3P
Molecular Weight477.46 g/mol
Exact Mass477.12
IUPAC Name6-diphenylphosphanyl-1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol
SMILESO=[N+]([O-])c1ccc(/N=N/c2c(O)ccc3cc(P(c4ccccc4)c4ccccc4)ccc23)cc1
InChIInChI=1S/C28H20N3O3P/c32-27-18-11-20-19-25(35(23-7-3-1-4-8-23)24-9-5-2-6-10-24)16-17-26(20)28(27)30-29-21-12-14-22(15-13-21)31(33)34/h1-19,32H/b30-29+
InChIKeyXUPHBIFVPDOCJH-QVIHXGFCSA-N
XLogP6.63
TPSA88.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.46
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

CID 137221760
CID 137221760
[6-diphenylphosphanyl-1-[(4-methylphenyl)diazenyl]naphthalen-2-yl] acetate
CID 5256996
(4-nitrophenyl)-phenyldiazene
CID 17222
4-[(2-hydroxynaphthalen-1-yl)diazenyl]-7-nitronaphthalene-1-sulfonic acid
CID 19238
CID 170850429
CID 170850429
6-methyl-1-phenyldiazenylnaphthalen-2-ol
CID 135829765
3-hydroxy-4-[(2-hydroxynaphthalen-1-yl)diazenyl]-7-nitronaphthalene-1-carbaldehyde
CID 139556597
3-hydroxy-4-[(2-hydroxynaphthalen-1-yl)diazenyl]-7-nitronaphthalene-1-sulfonate
CID 135573948
1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol;iron
CID 167455353
6-amino-4-methyl-1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol
CID 4692771
ethane;1-phenyldiazenylnaphthalen-2-ol
CID 136657953
sodium 2-hydroxy-3-[(2-hydroxynaphthalen-1-yl)diazenyl]-5-nitrobenzenesulfonate
CID 136784995

Frequently Asked Questions

What is the IUPAC name of 6-diphenylphosphanyl-1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol?
The IUPAC name of 6-diphenylphosphanyl-1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol (CID 177488821) is 6-diphenylphosphanyl-1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol.
What is the SMILES notation for 6-diphenylphosphanyl-1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol?
The canonical SMILES for 6-diphenylphosphanyl-1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol is O=[N+]([O-])c1ccc(/N=N/c2c(O)ccc3cc(P(c4ccccc4)c4ccccc4)ccc23)cc1.
What is the InChIKey of 6-diphenylphosphanyl-1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol?
The InChIKey is XUPHBIFVPDOCJH-QVIHXGFCSA-N. The full InChI is InChI=1S/C28H20N3O3P/c32-27-18-11-20-19-25(35(23-7-3-1-4-8-23)24-9-5-2-6-10-24)16-17-26(20)28(27)30-29-21-12-14-22(15-13-21)31(33)34/h1-19,32H/b30-29+.
What are the key properties of 6-diphenylphosphanyl-1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol?
6-diphenylphosphanyl-1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol has a molecular weight of 477.46 g/mol, XLogP of 6.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diphenylphosphanyl-1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol is sourced from PubChem (CID 177488821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).