2-(diphenylphosphorylmethyl)-1-[2-(diphenylphosphorylmethyl)naphthalen-1-yl]naphthalene

C46H36O2P2 — CID 10952532

IUPAC2-(diphenylphosphorylmethyl)-1-[2-(diphenylphosphorylmethyl)naphthalen-1-yl]naphthalene
SMILESO=P(Cc1ccc2ccccc2c1-c1c(CP(=O)(c2ccccc2)c2ccccc2)ccc2ccccc12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C46H36O2P2/c47-49(39-19-5-1-6-20-39,40-21-7-2-8-22-40)33-37-31-29-35-17-13-15-27-43(35)45(37)46-38(32-30-36-18-14-16-28-44(36)46)34-50(48,41-23-9-3-10-24-41)42-25-11-4-12-26-42/h1-32H,33-34H2
InChIKeyCHJGSWQVODBDHR-UHFFFAOYSA-N
MW682.74 g/mol
LogP10.69
Rot. Bonds9

About 2-(diphenylphosphorylmethyl)-1-[2-(diphenylphosphorylmethyl)naphthalen-1-yl]naphthalene

2-(diphenylphosphorylmethyl)-1-[2-(diphenylphosphorylmethyl)naphthalen-1-yl]naphthalene (PubChem CID 10952532) has the molecular formula C46H36O2P2 and a molecular weight of 682.74 g/mol. Its IUPAC name is 2-(diphenylphosphorylmethyl)-1-[2-(diphenylphosphorylmethyl)naphthalen-1-yl]naphthalene.

Molecular Properties

Compound Name2-(diphenylphosphorylmethyl)-1-[2-(diphenylphosphorylmethyl)naphthalen-1-yl]naphthalene
PubChem CID10952532
Molecular FormulaC46H36O2P2
Molecular Weight682.74 g/mol
Exact Mass682.22
IUPAC Name2-(diphenylphosphorylmethyl)-1-[2-(diphenylphosphorylmethyl)naphthalen-1-yl]naphthalene
SMILESO=P(Cc1ccc2ccccc2c1-c1c(CP(=O)(c2ccccc2)c2ccccc2)ccc2ccccc12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C46H36O2P2/c47-49(39-19-5-1-6-20-39,40-21-7-2-8-22-40)33-37-31-29-35-17-13-15-27-43(35)45(37)46-38(32-30-36-18-14-16-28-44(36)46)34-50(48,41-23-9-3-10-24-41)42-25-11-4-12-26-42/h1-32H,33-34H2
InChIKeyCHJGSWQVODBDHR-UHFFFAOYSA-N
XLogP10.69
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.74
LogP ≤ 510.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(diphenylphosphorylmethyl)-1-[2-(diphenylphosphorylmethyl)naphthalen-1-yl]naphthalene?
The IUPAC name of 2-(diphenylphosphorylmethyl)-1-[2-(diphenylphosphorylmethyl)naphthalen-1-yl]naphthalene (CID 10952532) is 2-(diphenylphosphorylmethyl)-1-[2-(diphenylphosphorylmethyl)naphthalen-1-yl]naphthalene.
What is the SMILES notation for 2-(diphenylphosphorylmethyl)-1-[2-(diphenylphosphorylmethyl)naphthalen-1-yl]naphthalene?
The canonical SMILES for 2-(diphenylphosphorylmethyl)-1-[2-(diphenylphosphorylmethyl)naphthalen-1-yl]naphthalene is O=P(Cc1ccc2ccccc2c1-c1c(CP(=O)(c2ccccc2)c2ccccc2)ccc2ccccc12)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(diphenylphosphorylmethyl)-1-[2-(diphenylphosphorylmethyl)naphthalen-1-yl]naphthalene?
The InChIKey is CHJGSWQVODBDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36O2P2/c47-49(39-19-5-1-6-20-39,40-21-7-2-8-22-40)33-37-31-29-35-17-13-15-27-43(35)45(37)46-38(32-30-36-18-14-16-28-44(36)46)34-50(48,41-23-9-3-10-24-41)42-25-11-4-12-26-42/h1-32H,33-34H2.
What are the key properties of 2-(diphenylphosphorylmethyl)-1-[2-(diphenylphosphorylmethyl)naphthalen-1-yl]naphthalene?
2-(diphenylphosphorylmethyl)-1-[2-(diphenylphosphorylmethyl)naphthalen-1-yl]naphthalene has a molecular weight of 682.74 g/mol, XLogP of 10.69, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diphenylphosphorylmethyl)-1-[2-(diphenylphosphorylmethyl)naphthalen-1-yl]naphthalene is sourced from PubChem (CID 10952532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).