10H-phenanthren-9-one;phosphoryl trichloride

C14H10Cl3O2P — CID 123741293

IUPAC10H-phenanthren-9-one;phosphoryl trichloride
SMILESO=C1Cc2ccccc2-c2ccccc21.O=P(Cl)(Cl)Cl
InChIInChI=1S/C14H10O.Cl3OP/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14;1-5(2,3)4/h1-8H,9H2;
InChIKeyCALFEXAGPSGHQK-UHFFFAOYSA-N
MW347.56 g/mol
LogP5.90
Rot. Bonds

About 10H-phenanthren-9-one;phosphoryl trichloride

10H-phenanthren-9-one;phosphoryl trichloride (PubChem CID 123741293) has the molecular formula C14H10Cl3O2P and a molecular weight of 347.56 g/mol. Its IUPAC name is 10H-phenanthren-9-one;phosphoryl trichloride.

Molecular Properties

Compound Name10H-phenanthren-9-one;phosphoryl trichloride
PubChem CID123741293
Molecular FormulaC14H10Cl3O2P
Molecular Weight347.56 g/mol
Exact Mass345.95
IUPAC Name10H-phenanthren-9-one;phosphoryl trichloride
SMILESO=C1Cc2ccccc2-c2ccccc21.O=P(Cl)(Cl)Cl
InChIInChI=1S/C14H10O.Cl3OP/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14;1-5(2,3)4/h1-8H,9H2;
InChIKeyCALFEXAGPSGHQK-UHFFFAOYSA-N
XLogP5.90
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.56
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene-2,11-dione
CID 163817575
ethane;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-one
CID 91187219
7-methoxy-10H-phenanthren-9-one
CID 135042116
9H-fluorene;oxophosphane
CID 174601741
9H-fluorene;oxozirconium
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chromium;9H-fluorene
CID 161167703
cadmium;9H-fluorene
CID 175337736
azane;hexakis(9H-fluorene)
CID 158472914
9H-fluorene;trihydrofluoride
CID 172854917
10H-anthracen-9-one;fluoren-9-one
CID 67642372
CID 161204167
CID 161204167
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dione
CID 606622

Frequently Asked Questions

What is the IUPAC name of 10H-phenanthren-9-one;phosphoryl trichloride?
The IUPAC name of 10H-phenanthren-9-one;phosphoryl trichloride (CID 123741293) is 10H-phenanthren-9-one;phosphoryl trichloride.
What is the SMILES notation for 10H-phenanthren-9-one;phosphoryl trichloride?
The canonical SMILES for 10H-phenanthren-9-one;phosphoryl trichloride is O=C1Cc2ccccc2-c2ccccc21.O=P(Cl)(Cl)Cl.
What is the InChIKey of 10H-phenanthren-9-one;phosphoryl trichloride?
The InChIKey is CALFEXAGPSGHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O.Cl3OP/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14;1-5(2,3)4/h1-8H,9H2;.
What are the key properties of 10H-phenanthren-9-one;phosphoryl trichloride?
10H-phenanthren-9-one;phosphoryl trichloride has a molecular weight of 347.56 g/mol, XLogP of 5.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-phenanthren-9-one;phosphoryl trichloride is sourced from PubChem (CID 123741293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).