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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hexacyclo[9.7.1.12,10.04,17.06,15.08,13]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene
CID 102250040
pentadecacyclo[27.25.1.12,28.04,53.06,51.08,49.010,47.012,45.014,43.016,41.018,39.020,37.022,35.024,33.026,31]hexapentaconta-1(55),2(56),3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53-octacosaene
CID 135009478
methylidene-(3-methylnaphthalen-2-yl)phosphane
CID 143109686
2,3,6,7-tetrachloroanthracene
CID 123956225
dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene
CID 54171203
tridecacyclo[29.27.1.12,30.05,36.07,34.010,41.012,39.015,46.017,44.020,51.022,49.025,56.027,54]hexaconta-1(59),2(60),3,5,7(34),8,10,12(39),13,15(46),16,18,20,22(49),23,25(56),26,28,30,32,35,37,40,42,44,47,50,52,54,57-triacontaene
CID 101434081
CID 173173087
CID 173173087
gold;pentacene
CID 162013118
ethane;2,3,6,7-tetramethylanthracene
CID 143651671
azane;tricyclo[4.4.0.03,8]deca-1(6),2,4,7,9-pentaene
CID 19797800
ethane;pentacene
CID 91470616
2,6-bis(ethenyl)anthracene
CID 102227749

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).