spiro[1,3,2-benzodioxaphosphol-2-ium-2,5'-benzo[b]phosphindol-5-ium]

C18H12O2P+ — CID 102464447

IUPACspiro[1,3,2-benzodioxaphosphol-2-ium-2,5'-benzo[b]phosphindol-5-ium]
SMILESc1ccc2c(c1)O[P+]1(O2)c2ccccc2-c2ccccc21
InChIInChI=1S/C18H12O2P/c1-5-11-17-13(7-1)14-8-2-6-12-18(14)21(17)19-15-9-3-4-10-16(15)20-21/h1-12H/q+1
InChIKeyRPJLGVWFZQYLPG-UHFFFAOYSA-N
MW291.27 g/mol
LogP3.94
Rot. Bonds

About spiro[1,3,2-benzodioxaphosphol-2-ium-2,5'-benzo[b]phosphindol-5-ium]

spiro[1,3,2-benzodioxaphosphol-2-ium-2,5'-benzo[b]phosphindol-5-ium] (PubChem CID 102464447) has the molecular formula C18H12O2P+ and a molecular weight of 291.27 g/mol. Its IUPAC name is spiro[1,3,2-benzodioxaphosphol-2-ium-2,5'-benzo[b]phosphindol-5-ium].

Molecular Properties

Compound Namespiro[1,3,2-benzodioxaphosphol-2-ium-2,5'-benzo[b]phosphindol-5-ium]
PubChem CID102464447
Molecular FormulaC18H12O2P+
Molecular Weight291.27 g/mol
Exact Mass291.06
IUPAC Namespiro[1,3,2-benzodioxaphosphol-2-ium-2,5'-benzo[b]phosphindol-5-ium]
SMILESc1ccc2c(c1)O[P+]1(O2)c2ccccc2-c2ccccc21
InChIInChI=1S/C18H12O2P/c1-5-11-17-13(7-1)14-8-2-6-12-18(14)21(17)19-15-9-3-4-10-16(15)20-21/h1-12H/q+1
InChIKeyRPJLGVWFZQYLPG-UHFFFAOYSA-N
XLogP3.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze spiro[1,3,2-benzodioxaphosphol-2-ium-2,5'-benzo[b]phosphindol-5-ium] with MolForge

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Related Compounds

2,2-diphenyl-1,3,2-benzodioxaphosphol-2-ium
CID 101355568
(6-silyloxybenzo[c][2,1]benzoxaphosphinin-6-ium-6-yl)oxysilane
CID 137328396
6-benzyl-6-hydroxybenzo[c][2,1]benzoxaphosphinin-6-ium
CID 71170000
CID 132539732
CID 132539732
14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 139199451
5,5-ditert-butylbenzo[b]phosphindol-5-ium
CID 139085011
9-[2,3-di(xanthen-9-ylidene)cyclopropylidene]xanthene
CID 102008343
6-oxido-N-phenylbenzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-amine
CID 122401637
2,3-dimethyl-2H-chromen-4-ol
CID 18337475
biphenylene;hydron
CID 173077542
3,3-dimethyl-4-phenyl-2H-1,3-benzoxaphosphol-3-ium
CID 167298120
4-methyl-2H-chromene-2-carbaldehyde
CID 174428851

Frequently Asked Questions

What is the IUPAC name of spiro[1,3,2-benzodioxaphosphol-2-ium-2,5'-benzo[b]phosphindol-5-ium]?
The IUPAC name of spiro[1,3,2-benzodioxaphosphol-2-ium-2,5'-benzo[b]phosphindol-5-ium] (CID 102464447) is spiro[1,3,2-benzodioxaphosphol-2-ium-2,5'-benzo[b]phosphindol-5-ium].
What is the SMILES notation for spiro[1,3,2-benzodioxaphosphol-2-ium-2,5'-benzo[b]phosphindol-5-ium]?
The canonical SMILES for spiro[1,3,2-benzodioxaphosphol-2-ium-2,5'-benzo[b]phosphindol-5-ium] is c1ccc2c(c1)O[P+]1(O2)c2ccccc2-c2ccccc21.
What is the InChIKey of spiro[1,3,2-benzodioxaphosphol-2-ium-2,5'-benzo[b]phosphindol-5-ium]?
The InChIKey is RPJLGVWFZQYLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O2P/c1-5-11-17-13(7-1)14-8-2-6-12-18(14)21(17)19-15-9-3-4-10-16(15)20-21/h1-12H/q+1.
What are the key properties of spiro[1,3,2-benzodioxaphosphol-2-ium-2,5'-benzo[b]phosphindol-5-ium]?
spiro[1,3,2-benzodioxaphosphol-2-ium-2,5'-benzo[b]phosphindol-5-ium] has a molecular weight of 291.27 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3,2-benzodioxaphosphol-2-ium-2,5'-benzo[b]phosphindol-5-ium] is sourced from PubChem (CID 102464447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).