benzo[a]anthracen-9-ylphosphane

C18H13P — CID 154284256

IUPACbenzo[a]anthracen-9-ylphosphane
SMILESPc1ccc2cc3c(ccc4ccccc43)cc2c1
InChIInChI=1S/C18H13P/c19-16-8-7-13-11-18-14(9-15(13)10-16)6-5-12-3-1-2-4-17(12)18/h1-11H,19H2
InChIKeyMIIAYMCDIQUNIV-UHFFFAOYSA-N
MW260.28 g/mol
LogP4.65
Rot. Bonds

About benzo[a]anthracen-9-ylphosphane

benzo[a]anthracen-9-ylphosphane (PubChem CID 154284256) has the molecular formula C18H13P and a molecular weight of 260.28 g/mol. Its IUPAC name is benzo[a]anthracen-9-ylphosphane.

Molecular Properties

Compound Namebenzo[a]anthracen-9-ylphosphane
PubChem CID154284256
Molecular FormulaC18H13P
Molecular Weight260.28 g/mol
Exact Mass260.08
IUPAC Namebenzo[a]anthracen-9-ylphosphane
SMILESPc1ccc2cc3c(ccc4ccccc43)cc2c1
InChIInChI=1S/C18H13P/c19-16-8-7-13-11-18-14(9-15(13)10-16)6-5-12-3-1-2-4-17(12)18/h1-11H,19H2
InChIKeyMIIAYMCDIQUNIV-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 54.65
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze benzo[a]anthracen-9-ylphosphane 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

benzo[a]anthracen-2-ylphosphane
CID 87972542
heptacyclo[16.12.0.02,15.04,13.06,11.020,29.021,26]triaconta-1(30),2,4,6,8,10,12,14,16,18,20(29),21,23,25,27-pentadecaene
CID 21087911
CID 157090523
CID 157090523
benzo[a]anthracene;hydrobromide
CID 159787028
tris(naphtho[1,2-b]phenanthrene);bis(pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene)
CID 160566024
naphtho[1,2-b]phenanthrene
CID 5889
9-benzo[a]anthracen-9-ylbenzo[a]anthracene
CID 123664298
benzo[a]anthracene;formonitrile
CID 155409375
pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 160736098
octacyclo[16.16.0.02,15.04,13.07,12.019,32.022,31.023,28]tetratriaconta-1(18),2,4(13),5,7,9,11,14,16,19(32),20,22(31),23,25,27,29,33-heptadecaene
CID 173096286
heptacyclo[16.12.0.03,16.04,13.07,12.019,28.022,27]triaconta-1,3(16),4(13),5,7,9,11,14,17,19(28),20,22,24,26,29-pentadecaene
CID 6431039
octacyclo[16.16.0.02,15.04,13.06,11.019,32.021,30.023,28]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene
CID 12657600

Frequently Asked Questions

What is the IUPAC name of benzo[a]anthracen-9-ylphosphane?
The IUPAC name of benzo[a]anthracen-9-ylphosphane (CID 154284256) is benzo[a]anthracen-9-ylphosphane.
What is the SMILES notation for benzo[a]anthracen-9-ylphosphane?
The canonical SMILES for benzo[a]anthracen-9-ylphosphane is Pc1ccc2cc3c(ccc4ccccc43)cc2c1.
What is the InChIKey of benzo[a]anthracen-9-ylphosphane?
The InChIKey is MIIAYMCDIQUNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13P/c19-16-8-7-13-11-18-14(9-15(13)10-16)6-5-12-3-1-2-4-17(12)18/h1-11H,19H2.
What are the key properties of benzo[a]anthracen-9-ylphosphane?
benzo[a]anthracen-9-ylphosphane has a molecular weight of 260.28 g/mol, XLogP of 4.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[a]anthracen-9-ylphosphane is sourced from PubChem (CID 154284256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).