(10-diphenylphosphanylanthracen-9-yl)-diphenylphosphane

C38H28P2 — CID 12979651

IUPAC(10-diphenylphosphanylanthracen-9-yl)-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2c3ccccc3c(P(c3ccccc3)c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C38H28P2/c1-5-17-29(18-6-1)39(30-19-7-2-8-20-30)37-33-25-13-15-27-35(33)38(36-28-16-14-26-34(36)37)40(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-28H
InChIKeyZOIWQBKOGUVOPW-UHFFFAOYSA-N
MW546.59 g/mol
LogP7.51
Rot. Bonds6

About (10-diphenylphosphanylanthracen-9-yl)-diphenylphosphane

(10-diphenylphosphanylanthracen-9-yl)-diphenylphosphane (PubChem CID 12979651) has the molecular formula C38H28P2 and a molecular weight of 546.59 g/mol. Its IUPAC name is (10-diphenylphosphanylanthracen-9-yl)-diphenylphosphane.

Molecular Properties

Compound Name(10-diphenylphosphanylanthracen-9-yl)-diphenylphosphane
PubChem CID12979651
Molecular FormulaC38H28P2
Molecular Weight546.59 g/mol
Exact Mass546.17
IUPAC Name(10-diphenylphosphanylanthracen-9-yl)-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2c3ccccc3c(P(c3ccccc3)c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C38H28P2/c1-5-17-29(18-6-1)39(30-19-7-2-8-20-30)37-33-25-13-15-27-35(33)38(36-28-16-14-26-34(36)37)40(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-28H
InChIKeyZOIWQBKOGUVOPW-UHFFFAOYSA-N
XLogP7.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.59
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

triphenylphosphane
CID 139056248
tris(triphenylphosphane);hydrobromide
CID 172722268
tris(triphenylphosphane);trihydrochloride
CID 173282987
palladium;bis(triphenylphosphane)
CID 10122028
triphenylphosphane;yttrium
CID 139917776
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
silane;triphenylphosphane
CID 161037280
plutonium;triphenylphosphane
CID 161300359
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
CID 87948921
CID 87948921
triphenylphosphane;octahydrochloride
CID 172751742

Frequently Asked Questions

What is the IUPAC name of (10-diphenylphosphanylanthracen-9-yl)-diphenylphosphane?
The IUPAC name of (10-diphenylphosphanylanthracen-9-yl)-diphenylphosphane (CID 12979651) is (10-diphenylphosphanylanthracen-9-yl)-diphenylphosphane.
What is the SMILES notation for (10-diphenylphosphanylanthracen-9-yl)-diphenylphosphane?
The canonical SMILES for (10-diphenylphosphanylanthracen-9-yl)-diphenylphosphane is c1ccc(P(c2ccccc2)c2c3ccccc3c(P(c3ccccc3)c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of (10-diphenylphosphanylanthracen-9-yl)-diphenylphosphane?
The InChIKey is ZOIWQBKOGUVOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28P2/c1-5-17-29(18-6-1)39(30-19-7-2-8-20-30)37-33-25-13-15-27-35(33)38(36-28-16-14-26-34(36)37)40(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-28H.
What are the key properties of (10-diphenylphosphanylanthracen-9-yl)-diphenylphosphane?
(10-diphenylphosphanylanthracen-9-yl)-diphenylphosphane has a molecular weight of 546.59 g/mol, XLogP of 7.51, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (10-diphenylphosphanylanthracen-9-yl)-diphenylphosphane is sourced from PubChem (CID 12979651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).