naphthalen-1-yl-[2-[naphthalen-1-yl(phenyl)phosphanyl]ethyl]-phenylphosphane

C34H28P2 — CID 57347705

IUPACnaphthalen-1-yl-[2-[naphthalen-1-yl(phenyl)phosphanyl]ethyl]-phenylphosphane
SMILESc1ccc(P(CCP(c2ccccc2)c2cccc3ccccc23)c2cccc3ccccc23)cc1
InChIInChI=1S/C34H28P2/c1-3-17-29(18-4-1)35(33-23-11-15-27-13-7-9-21-31(27)33)25-26-36(30-19-5-2-6-20-30)34-24-12-16-28-14-8-10-22-32(28)34/h1-24H,25-26H2
InChIKeyAJLHFWYWUUCAAX-UHFFFAOYSA-N
MW498.55 g/mol
LogP7.56
Rot. Bonds7

About naphthalen-1-yl-[2-[naphthalen-1-yl(phenyl)phosphanyl]ethyl]-phenylphosphane

naphthalen-1-yl-[2-[naphthalen-1-yl(phenyl)phosphanyl]ethyl]-phenylphosphane (PubChem CID 57347705) has the molecular formula C34H28P2 and a molecular weight of 498.55 g/mol. Its IUPAC name is naphthalen-1-yl-[2-[naphthalen-1-yl(phenyl)phosphanyl]ethyl]-phenylphosphane.

Molecular Properties

Compound Namenaphthalen-1-yl-[2-[naphthalen-1-yl(phenyl)phosphanyl]ethyl]-phenylphosphane
PubChem CID57347705
Molecular FormulaC34H28P2
Molecular Weight498.55 g/mol
Exact Mass498.17
IUPAC Namenaphthalen-1-yl-[2-[naphthalen-1-yl(phenyl)phosphanyl]ethyl]-phenylphosphane
SMILESc1ccc(P(CCP(c2ccccc2)c2cccc3ccccc23)c2cccc3ccccc23)cc1
InChIInChI=1S/C34H28P2/c1-3-17-29(18-4-1)35(33-23-11-15-27-13-7-9-21-31(27)33)25-26-36(30-19-5-2-6-20-30)34-24-12-16-28-14-8-10-22-32(28)34/h1-24H,25-26H2
InChIKeyAJLHFWYWUUCAAX-UHFFFAOYSA-N
XLogP7.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.55
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze naphthalen-1-yl-[2-[naphthalen-1-yl(phenyl)phosphanyl]ethyl]-phenylphosphane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl-[2-[naphthalen-1-yl(phenyl)phosphanyl]ethyl]-phenylphosphane?
The IUPAC name of naphthalen-1-yl-[2-[naphthalen-1-yl(phenyl)phosphanyl]ethyl]-phenylphosphane (CID 57347705) is naphthalen-1-yl-[2-[naphthalen-1-yl(phenyl)phosphanyl]ethyl]-phenylphosphane.
What is the SMILES notation for naphthalen-1-yl-[2-[naphthalen-1-yl(phenyl)phosphanyl]ethyl]-phenylphosphane?
The canonical SMILES for naphthalen-1-yl-[2-[naphthalen-1-yl(phenyl)phosphanyl]ethyl]-phenylphosphane is c1ccc(P(CCP(c2ccccc2)c2cccc3ccccc23)c2cccc3ccccc23)cc1.
What is the InChIKey of naphthalen-1-yl-[2-[naphthalen-1-yl(phenyl)phosphanyl]ethyl]-phenylphosphane?
The InChIKey is AJLHFWYWUUCAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28P2/c1-3-17-29(18-4-1)35(33-23-11-15-27-13-7-9-21-31(27)33)25-26-36(30-19-5-2-6-20-30)34-24-12-16-28-14-8-10-22-32(28)34/h1-24H,25-26H2.
What are the key properties of naphthalen-1-yl-[2-[naphthalen-1-yl(phenyl)phosphanyl]ethyl]-phenylphosphane?
naphthalen-1-yl-[2-[naphthalen-1-yl(phenyl)phosphanyl]ethyl]-phenylphosphane has a molecular weight of 498.55 g/mol, XLogP of 7.56, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl-[2-[naphthalen-1-yl(phenyl)phosphanyl]ethyl]-phenylphosphane is sourced from PubChem (CID 57347705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).