perylen-3-yl(diphenyl)phosphane

C32H21P — CID 91193138

IUPACperylen-3-yl(diphenyl)phosphane
SMILESc1ccc(P(c2ccccc2)c2ccc3c4cccc5cccc(c6cccc2c63)c54)cc1
InChIInChI=1S/C32H21P/c1-3-12-23(13-4-1)33(24-14-5-2-6-15-24)30-21-20-28-26-17-8-11-22-10-7-16-25(31(22)26)27-18-9-19-29(30)32(27)28/h1-21H
InChIKeyRGWQEOQKDBQKRK-UHFFFAOYSA-N
MW436.49 g/mol
LogP7.50
Rot. Bonds3

About perylen-3-yl(diphenyl)phosphane

perylen-3-yl(diphenyl)phosphane (PubChem CID 91193138) has the molecular formula C32H21P and a molecular weight of 436.49 g/mol. Its IUPAC name is perylen-3-yl(diphenyl)phosphane.

Molecular Properties

Compound Nameperylen-3-yl(diphenyl)phosphane
PubChem CID91193138
Molecular FormulaC32H21P
Molecular Weight436.49 g/mol
Exact Mass436.14
IUPAC Nameperylen-3-yl(diphenyl)phosphane
SMILESc1ccc(P(c2ccccc2)c2ccc3c4cccc5cccc(c6cccc2c63)c54)cc1
InChIInChI=1S/C32H21P/c1-3-12-23(13-4-1)33(24-14-5-2-6-15-24)30-21-20-28-26-17-8-11-22-10-7-16-25(31(22)26)27-18-9-19-29(30)32(27)28/h1-21H
InChIKeyRGWQEOQKDBQKRK-UHFFFAOYSA-N
XLogP7.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.49
LogP ≤ 57.50
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 perylen-3-yl(diphenyl)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

(4-methylphenyl)-phenyl-pyren-1-ylphosphane
CID 101061260
trinaphthalen-1-ylphosphane;triphenylphosphane
CID 158068976
diphenyl-[4-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-1-yl]phosphane
CID 144896174
benzo[k]fluoranthen-3-yl-phenyl-(3-phenylphenyl)phosphane
CID 144896423
heptadecacyclo[28.20.2.22,5.26,9.231,34.110,14.135,39.03,26.04,23.07,22.08,19.027,51.032,47.033,44.048,52.018,56.043,53]hexaconta-1(51),2,4,6,8,10,12,14(56),15,17,19,21,23,25,27,29,31(55),32(47),33(44),34(54),35,37,39(53),40,42,45,48(52),49,57,59-triacontaene
CID 86057292
8-diphenylphosphanylnaphthalene-1-thiol
CID 58555902
bis([1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane);bis(rhodium);dihydrate
CID 73162021
5-diphenylphosphanylphenanthrene-4-thiol
CID 118404150
2-diphenylphosphanyl-8-phenylnaphthalen-1-ol
CID 171398165
carbon monoxide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;rhodium
CID 139254479
(10-diphenylphosphanylanthracen-9-yl)-diphenylphosphane
CID 12979651
acetic acid;perylene
CID 175230474

Frequently Asked Questions

What is the IUPAC name of perylen-3-yl(diphenyl)phosphane?
The IUPAC name of perylen-3-yl(diphenyl)phosphane (CID 91193138) is perylen-3-yl(diphenyl)phosphane.
What is the SMILES notation for perylen-3-yl(diphenyl)phosphane?
The canonical SMILES for perylen-3-yl(diphenyl)phosphane is c1ccc(P(c2ccccc2)c2ccc3c4cccc5cccc(c6cccc2c63)c54)cc1.
What is the InChIKey of perylen-3-yl(diphenyl)phosphane?
The InChIKey is RGWQEOQKDBQKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21P/c1-3-12-23(13-4-1)33(24-14-5-2-6-15-24)30-21-20-28-26-17-8-11-22-10-7-16-25(31(22)26)27-18-9-19-29(30)32(27)28/h1-21H.
What are the key properties of perylen-3-yl(diphenyl)phosphane?
perylen-3-yl(diphenyl)phosphane has a molecular weight of 436.49 g/mol, XLogP of 7.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for perylen-3-yl(diphenyl)phosphane is sourced from PubChem (CID 91193138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).