trinaphthalen-1-ylphosphane;triphenylphosphane

C48H36P2 — CID 158068976

IUPACtrinaphthalen-1-ylphosphane;triphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc2c(P(c3cccc4ccccc34)c3cccc4ccccc34)cccc2c1
InChIInChI=1S/C30H21P.C18H15P/c1-4-16-25-22(10-1)13-7-19-28(25)31(29-20-8-14-23-11-2-5-17-26(23)29)30-21-9-15-24-12-3-6-18-27(24)30;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-21H;1-15H
InChIKeyFLOZTFQSBRHEDS-UHFFFAOYSA-N
MW674.76 g/mol
LogP10.35
Rot. Bonds6

About trinaphthalen-1-ylphosphane;triphenylphosphane

trinaphthalen-1-ylphosphane;triphenylphosphane (PubChem CID 158068976) has the molecular formula C48H36P2 and a molecular weight of 674.76 g/mol. Its IUPAC name is trinaphthalen-1-ylphosphane;triphenylphosphane.

Molecular Properties

Compound Nametrinaphthalen-1-ylphosphane;triphenylphosphane
PubChem CID158068976
Molecular FormulaC48H36P2
Molecular Weight674.76 g/mol
Exact Mass674.23
IUPAC Nametrinaphthalen-1-ylphosphane;triphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc2c(P(c3cccc4ccccc34)c3cccc4ccccc34)cccc2c1
InChIInChI=1S/C30H21P.C18H15P/c1-4-16-25-22(10-1)13-7-19-28(25)31(29-20-8-14-23-11-2-5-17-26(23)29)30-21-9-15-24-12-3-6-18-27(24)30;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-21H;1-15H
InChIKeyFLOZTFQSBRHEDS-UHFFFAOYSA-N
XLogP10.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.76
LogP ≤ 510.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(2-methylphenyl)-naphthalen-1-ylphosphane
CID 90108278
rhodium(3+);nonakis(triphenylphosphane);trichloride
CID 173040367
perylen-3-yl(diphenyl)phosphane
CID 91193138
triphenylphosphane
CID 139056248
CID 72945837
CID 72945837
difluoro(naphthalen-1-yl)phosphane
CID 102048113
[dimethyl-[[naphthalen-1-yl(phenyl)phosphanyl]methyl]silyl]methyl-naphthalen-1-yl-phenylphosphane
CID 85293933
bis([1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane);bis(rhodium);dihydrate
CID 73162021
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
palladium;bis(triphenylphosphane)
CID 10122028
tris(triphenylphosphane);hydrobromide
CID 172722268

Frequently Asked Questions

What is the IUPAC name of trinaphthalen-1-ylphosphane;triphenylphosphane?
The IUPAC name of trinaphthalen-1-ylphosphane;triphenylphosphane (CID 158068976) is trinaphthalen-1-ylphosphane;triphenylphosphane.
What is the SMILES notation for trinaphthalen-1-ylphosphane;triphenylphosphane?
The canonical SMILES for trinaphthalen-1-ylphosphane;triphenylphosphane is c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc2c(P(c3cccc4ccccc34)c3cccc4ccccc34)cccc2c1.
What is the InChIKey of trinaphthalen-1-ylphosphane;triphenylphosphane?
The InChIKey is FLOZTFQSBRHEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21P.C18H15P/c1-4-16-25-22(10-1)13-7-19-28(25)31(29-20-8-14-23-11-2-5-17-26(23)29)30-21-9-15-24-12-3-6-18-27(24)30;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-21H;1-15H.
What are the key properties of trinaphthalen-1-ylphosphane;triphenylphosphane?
trinaphthalen-1-ylphosphane;triphenylphosphane has a molecular weight of 674.76 g/mol, XLogP of 10.35, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trinaphthalen-1-ylphosphane;triphenylphosphane is sourced from PubChem (CID 158068976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).