[8-[8-(diphenylphosphanylmethyl)naphthalen-1-yl]naphthalen-1-yl]methyl-diphenylphosphane

C46H36P2 — CID 14950709

IUPAC[8-[8-(diphenylphosphanylmethyl)naphthalen-1-yl]naphthalen-1-yl]methyl-diphenylphosphane
SMILESc1ccc(P(Cc2cccc3cccc(-c4cccc5cccc(CP(c6ccccc6)c6ccccc6)c45)c23)c2ccccc2)cc1
InChIInChI=1S/C46H36P2/c1-5-23-39(24-6-1)47(40-25-7-2-8-26-40)33-37-21-13-17-35-19-15-31-43(45(35)37)44-32-16-20-36-18-14-22-38(46(36)44)34-48(41-27-9-3-10-28-41)42-29-11-4-12-30-42/h1-32H,33-34H2
InChIKeyRJWRHQPSKZCUNL-UHFFFAOYSA-N
MW650.74 g/mol
LogP10.93
Rot. Bonds9

About [8-[8-(diphenylphosphanylmethyl)naphthalen-1-yl]naphthalen-1-yl]methyl-diphenylphosphane

[8-[8-(diphenylphosphanylmethyl)naphthalen-1-yl]naphthalen-1-yl]methyl-diphenylphosphane (PubChem CID 14950709) has the molecular formula C46H36P2 and a molecular weight of 650.74 g/mol. Its IUPAC name is [8-[8-(diphenylphosphanylmethyl)naphthalen-1-yl]naphthalen-1-yl]methyl-diphenylphosphane.

Molecular Properties

Compound Name[8-[8-(diphenylphosphanylmethyl)naphthalen-1-yl]naphthalen-1-yl]methyl-diphenylphosphane
PubChem CID14950709
Molecular FormulaC46H36P2
Molecular Weight650.74 g/mol
Exact Mass650.23
IUPAC Name[8-[8-(diphenylphosphanylmethyl)naphthalen-1-yl]naphthalen-1-yl]methyl-diphenylphosphane
SMILESc1ccc(P(Cc2cccc3cccc(-c4cccc5cccc(CP(c6ccccc6)c6ccccc6)c45)c23)c2ccccc2)cc1
InChIInChI=1S/C46H36P2/c1-5-23-39(24-6-1)47(40-25-7-2-8-26-40)33-37-21-13-17-35-19-15-31-43(45(35)37)44-32-16-20-36-18-14-22-38(46(36)44)34-48(41-27-9-3-10-28-41)42-29-11-4-12-30-42/h1-32H,33-34H2
InChIKeyRJWRHQPSKZCUNL-UHFFFAOYSA-N
XLogP10.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.74
LogP ≤ 510.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [8-[8-(diphenylphosphanylmethyl)naphthalen-1-yl]naphthalen-1-yl]methyl-diphenylphosphane?
The IUPAC name of [8-[8-(diphenylphosphanylmethyl)naphthalen-1-yl]naphthalen-1-yl]methyl-diphenylphosphane (CID 14950709) is [8-[8-(diphenylphosphanylmethyl)naphthalen-1-yl]naphthalen-1-yl]methyl-diphenylphosphane.
What is the SMILES notation for [8-[8-(diphenylphosphanylmethyl)naphthalen-1-yl]naphthalen-1-yl]methyl-diphenylphosphane?
The canonical SMILES for [8-[8-(diphenylphosphanylmethyl)naphthalen-1-yl]naphthalen-1-yl]methyl-diphenylphosphane is c1ccc(P(Cc2cccc3cccc(-c4cccc5cccc(CP(c6ccccc6)c6ccccc6)c45)c23)c2ccccc2)cc1.
What is the InChIKey of [8-[8-(diphenylphosphanylmethyl)naphthalen-1-yl]naphthalen-1-yl]methyl-diphenylphosphane?
The InChIKey is RJWRHQPSKZCUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36P2/c1-5-23-39(24-6-1)47(40-25-7-2-8-26-40)33-37-21-13-17-35-19-15-31-43(45(35)37)44-32-16-20-36-18-14-22-38(46(36)44)34-48(41-27-9-3-10-28-41)42-29-11-4-12-30-42/h1-32H,33-34H2.
What are the key properties of [8-[8-(diphenylphosphanylmethyl)naphthalen-1-yl]naphthalen-1-yl]methyl-diphenylphosphane?
[8-[8-(diphenylphosphanylmethyl)naphthalen-1-yl]naphthalen-1-yl]methyl-diphenylphosphane has a molecular weight of 650.74 g/mol, XLogP of 10.93, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[8-(diphenylphosphanylmethyl)naphthalen-1-yl]naphthalen-1-yl]methyl-diphenylphosphane is sourced from PubChem (CID 14950709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).