benzo[a]anthracen-2-ylphosphane

C18H13P — CID 87972542

IUPACbenzo[a]anthracen-2-ylphosphane
SMILESPc1ccc2ccc3cc4ccccc4cc3c2c1
InChIInChI=1S/C18H13P/c19-16-8-7-12-5-6-15-9-13-3-1-2-4-14(13)10-17(15)18(12)11-16/h1-11H,19H2
InChIKeyPDNXUKXPKJACEU-UHFFFAOYSA-N
MW260.28 g/mol
LogP4.65
Rot. Bonds

About benzo[a]anthracen-2-ylphosphane

benzo[a]anthracen-2-ylphosphane (PubChem CID 87972542) has the molecular formula C18H13P and a molecular weight of 260.28 g/mol. Its IUPAC name is benzo[a]anthracen-2-ylphosphane.

Molecular Properties

Compound Namebenzo[a]anthracen-2-ylphosphane
PubChem CID87972542
Molecular FormulaC18H13P
Molecular Weight260.28 g/mol
Exact Mass260.08
IUPAC Namebenzo[a]anthracen-2-ylphosphane
SMILESPc1ccc2ccc3cc4ccccc4cc3c2c1
InChIInChI=1S/C18H13P/c19-16-8-7-12-5-6-15-9-13-3-1-2-4-14(13)10-17(15)18(12)11-16/h1-11H,19H2
InChIKeyPDNXUKXPKJACEU-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'}

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Related Compounds

benzo[a]anthracen-9-ylphosphane
CID 154284256
CID 157090523
CID 157090523
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
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
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
naphtho[1,2-b]phenanthrene
CID 5889
benzo[a]anthracene;formonitrile
CID 155409375
2-chlorobenzo[a]anthracene
CID 23367240
butane;naphthalen-2-ylphosphane
CID 174828877
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
9-benzo[a]anthracen-9-ylbenzo[a]anthracene
CID 123664298

Frequently Asked Questions

What is the IUPAC name of benzo[a]anthracen-2-ylphosphane?
The IUPAC name of benzo[a]anthracen-2-ylphosphane (CID 87972542) is benzo[a]anthracen-2-ylphosphane.
What is the SMILES notation for benzo[a]anthracen-2-ylphosphane?
The canonical SMILES for benzo[a]anthracen-2-ylphosphane is Pc1ccc2ccc3cc4ccccc4cc3c2c1.
What is the InChIKey of benzo[a]anthracen-2-ylphosphane?
The InChIKey is PDNXUKXPKJACEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13P/c19-16-8-7-12-5-6-15-9-13-3-1-2-4-14(13)10-17(15)18(12)11-16/h1-11H,19H2.
What are the key properties of benzo[a]anthracen-2-ylphosphane?
benzo[a]anthracen-2-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-2-ylphosphane is sourced from PubChem (CID 87972542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).