methylidene-[3,6,7-tris(methylidenephosphanyl)anthracen-2-yl]phosphane

C18H14P4 — CID 90846427

IUPACmethylidene-[3,6,7-tris(methylidenephosphanyl)anthracen-2-yl]phosphane
SMILESC=Pc1cc2cc3cc(P=C)c(P=C)cc3cc2cc1P=C
InChIInChI=1S/C18H14P4/c1-19-15-7-11-5-13-9-17(21-3)18(22-4)10-14(13)6-12(11)8-16(15)20-2/h5-10H,1-4H2
InChIKeyFXONUXZOGJIMLU-UHFFFAOYSA-N
MW354.21 g/mol
LogP4.01
Rot. Bonds4

About methylidene-[3,6,7-tris(methylidenephosphanyl)anthracen-2-yl]phosphane

methylidene-[3,6,7-tris(methylidenephosphanyl)anthracen-2-yl]phosphane (PubChem CID 90846427) has the molecular formula C18H14P4 and a molecular weight of 354.21 g/mol. Its IUPAC name is methylidene-[3,6,7-tris(methylidenephosphanyl)anthracen-2-yl]phosphane.

Molecular Properties

Compound Namemethylidene-[3,6,7-tris(methylidenephosphanyl)anthracen-2-yl]phosphane
PubChem CID90846427
Molecular FormulaC18H14P4
Molecular Weight354.21 g/mol
Exact Mass354.00
IUPAC Namemethylidene-[3,6,7-tris(methylidenephosphanyl)anthracen-2-yl]phosphane
SMILESC=Pc1cc2cc3cc(P=C)c(P=C)cc3cc2cc1P=C
InChIInChI=1S/C18H14P4/c1-19-15-7-11-5-13-9-17(21-3)18(22-4)10-14(13)6-12(11)8-16(15)20-2/h5-10H,1-4H2
InChIKeyFXONUXZOGJIMLU-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.21
LogP ≤ 54.01
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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Frequently Asked Questions

What is the IUPAC name of methylidene-[3,6,7-tris(methylidenephosphanyl)anthracen-2-yl]phosphane?
The IUPAC name of methylidene-[3,6,7-tris(methylidenephosphanyl)anthracen-2-yl]phosphane (CID 90846427) is methylidene-[3,6,7-tris(methylidenephosphanyl)anthracen-2-yl]phosphane.
What is the SMILES notation for methylidene-[3,6,7-tris(methylidenephosphanyl)anthracen-2-yl]phosphane?
The canonical SMILES for methylidene-[3,6,7-tris(methylidenephosphanyl)anthracen-2-yl]phosphane is C=Pc1cc2cc3cc(P=C)c(P=C)cc3cc2cc1P=C.
What is the InChIKey of methylidene-[3,6,7-tris(methylidenephosphanyl)anthracen-2-yl]phosphane?
The InChIKey is FXONUXZOGJIMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14P4/c1-19-15-7-11-5-13-9-17(21-3)18(22-4)10-14(13)6-12(11)8-16(15)20-2/h5-10H,1-4H2.
What are the key properties of methylidene-[3,6,7-tris(methylidenephosphanyl)anthracen-2-yl]phosphane?
methylidene-[3,6,7-tris(methylidenephosphanyl)anthracen-2-yl]phosphane has a molecular weight of 354.21 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methylidene-[3,6,7-tris(methylidenephosphanyl)anthracen-2-yl]phosphane is sourced from PubChem (CID 90846427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).