phenanthren-9-yloxy(triphenyl)phosphanium

C32H24OP+ — CID 139734815

IUPACphenanthren-9-yloxy(triphenyl)phosphanium
SMILESc1ccc([P+](Oc2cc3ccccc3c3ccccc23)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H24OP/c1-4-15-26(16-5-1)34(27-17-6-2-7-18-27,28-19-8-3-9-20-28)33-32-24-25-14-10-11-21-29(25)30-22-12-13-23-31(30)32/h1-24H/q+1
InChIKeyFIIWCWRRLDXAAZ-UHFFFAOYSA-N
MW455.52 g/mol
LogP7.28
Rot. Bonds5

About phenanthren-9-yloxy(triphenyl)phosphanium

phenanthren-9-yloxy(triphenyl)phosphanium (PubChem CID 139734815) has the molecular formula C32H24OP+ and a molecular weight of 455.52 g/mol. Its IUPAC name is phenanthren-9-yloxy(triphenyl)phosphanium.

Molecular Properties

Compound Namephenanthren-9-yloxy(triphenyl)phosphanium
PubChem CID139734815
Molecular FormulaC32H24OP+
Molecular Weight455.52 g/mol
Exact Mass455.16
IUPAC Namephenanthren-9-yloxy(triphenyl)phosphanium
SMILESc1ccc([P+](Oc2cc3ccccc3c3ccccc23)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H24OP/c1-4-15-26(16-5-1)34(27-17-6-2-7-18-27,28-19-8-3-9-20-28)33-32-24-25-14-10-11-21-29(25)30-22-12-13-23-31(30)32/h1-24H/q+1
InChIKeyFIIWCWRRLDXAAZ-UHFFFAOYSA-N
XLogP7.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.52
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

9-(diphenoxymethyl)phenanthrene
CID 140773859
phenanthren-9-yl methanesulfonate
CID 18424515
2-phenanthren-9-yloxy-1-phenylethanone
CID 155105601
1-methyl-4-phenanthren-9-yloxypyridin-1-ium
CID 10319529
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
heptacyclo[16.12.0.03,16.04,13.07,12.019,28.022,27]triaconta-1,3(16),4(13),5,7,9,11,14,17,19(28),20,22,24,26,29-pentadecaene
CID 6431039
phenanthren-9-yl-di(propan-2-yl)phosphane
CID 139184235
6-methoxychrysene
CID 12935769
triphenyl(triphenylphosphaniumyloxy)phosphanium dibromide
CID 87509247
naphtho[1,2-b]phenanthrene
CID 5889
anthracene;naphthalene;phenanthrene
CID 158591187
9-propan-2-yloxyanthracene
CID 13287348

Frequently Asked Questions

What is the IUPAC name of phenanthren-9-yloxy(triphenyl)phosphanium?
The IUPAC name of phenanthren-9-yloxy(triphenyl)phosphanium (CID 139734815) is phenanthren-9-yloxy(triphenyl)phosphanium.
What is the SMILES notation for phenanthren-9-yloxy(triphenyl)phosphanium?
The canonical SMILES for phenanthren-9-yloxy(triphenyl)phosphanium is c1ccc([P+](Oc2cc3ccccc3c3ccccc23)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of phenanthren-9-yloxy(triphenyl)phosphanium?
The InChIKey is FIIWCWRRLDXAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24OP/c1-4-15-26(16-5-1)34(27-17-6-2-7-18-27,28-19-8-3-9-20-28)33-32-24-25-14-10-11-21-29(25)30-22-12-13-23-31(30)32/h1-24H/q+1.
What are the key properties of phenanthren-9-yloxy(triphenyl)phosphanium?
phenanthren-9-yloxy(triphenyl)phosphanium has a molecular weight of 455.52 g/mol, XLogP of 7.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenanthren-9-yloxy(triphenyl)phosphanium is sourced from PubChem (CID 139734815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).