phenanthrene;phosphane

C14H13P — CID 161431298

IUPACphenanthrene;phosphane
SMILESP.c1ccc2c(c1)ccc1ccccc12
InChIInChI=1S/C14H10.H3P/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;/h1-10H;1H3
InChIKeyVYAWNUGJSVJTSU-UHFFFAOYSA-N
MW212.23 g/mol
LogP4.05
Rot. Bonds

About phenanthrene;phosphane

phenanthrene;phosphane (PubChem CID 161431298) has the molecular formula C14H13P and a molecular weight of 212.23 g/mol. Its IUPAC name is phenanthrene;phosphane.

Molecular Properties

Compound Namephenanthrene;phosphane
PubChem CID161431298
Molecular FormulaC14H13P
Molecular Weight212.23 g/mol
Exact Mass212.08
IUPAC Namephenanthrene;phosphane
SMILESP.c1ccc2c(c1)ccc1ccccc12
InChIInChI=1S/C14H10.H3P/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;/h1-10H;1H3
InChIKeyVYAWNUGJSVJTSU-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

phenanthrene;sulfane
CID 159172584
ethane;methane;phenanthrene
CID 144939263
phenanthrene;phosphinous acid
CID 174826862
ethane;methane;phenanthrene
CID 144938954
chrysene;iron
CID 157379031
anthracene;naphthalene;phenanthrene
CID 158591187
ethene;picene
CID 175286520
naphtho[1,2-b]phenanthrene
CID 5889
1,1'-biphenyl;naphthalene;phenanthrene
CID 157410235
phenanthrene;pyrene;triphenylene
CID 162115949
pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 160736098
octacyclo[16.16.0.02,15.04,13.07,12.019,32.022,31.023,28]tetratriaconta-1(18),2,4(13),5,7,9,11,14,16,19(32),20,22(31),23,25,27,29,33-heptadecaene
CID 173096286

Frequently Asked Questions

What is the IUPAC name of phenanthrene;phosphane?
The IUPAC name of phenanthrene;phosphane (CID 161431298) is phenanthrene;phosphane.
What is the SMILES notation for phenanthrene;phosphane?
The canonical SMILES for phenanthrene;phosphane is P.c1ccc2c(c1)ccc1ccccc12.
What is the InChIKey of phenanthrene;phosphane?
The InChIKey is VYAWNUGJSVJTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.H3P/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;/h1-10H;1H3.
What are the key properties of phenanthrene;phosphane?
phenanthrene;phosphane has a molecular weight of 212.23 g/mol, XLogP of 4.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for phenanthrene;phosphane is sourced from PubChem (CID 161431298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).