1-(2-dinaphthalen-2-ylphosphorylphenyl)-2-phenylmethoxynaphthalene

C43H31O2P — CID 170694617

IUPAC1-(2-dinaphthalen-2-ylphosphorylphenyl)-2-phenylmethoxynaphthalene
SMILESO=P(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)c1ccccc1-c1c(OCc2ccccc2)ccc2ccccc12
InChIInChI=1S/C43H31O2P/c44-46(37-25-22-32-14-4-6-17-35(32)28-37,38-26-23-33-15-5-7-18-36(33)29-38)42-21-11-10-20-40(42)43-39-19-9-8-16-34(39)24-27-41(43)45-30-31-12-2-1-3-13-31/h1-29H,30H2
InChIKeyUSXXLYOSIAFNMA-UHFFFAOYSA-N
MW610.69 g/mol
LogP10.03
Rot. Bonds7

About 1-(2-dinaphthalen-2-ylphosphorylphenyl)-2-phenylmethoxynaphthalene

1-(2-dinaphthalen-2-ylphosphorylphenyl)-2-phenylmethoxynaphthalene (PubChem CID 170694617) has the molecular formula C43H31O2P and a molecular weight of 610.69 g/mol. Its IUPAC name is 1-(2-dinaphthalen-2-ylphosphorylphenyl)-2-phenylmethoxynaphthalene.

Molecular Properties

Compound Name1-(2-dinaphthalen-2-ylphosphorylphenyl)-2-phenylmethoxynaphthalene
PubChem CID170694617
Molecular FormulaC43H31O2P
Molecular Weight610.69 g/mol
Exact Mass610.21
IUPAC Name1-(2-dinaphthalen-2-ylphosphorylphenyl)-2-phenylmethoxynaphthalene
SMILESO=P(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)c1ccccc1-c1c(OCc2ccccc2)ccc2ccccc12
InChIInChI=1S/C43H31O2P/c44-46(37-25-22-32-14-4-6-17-35(32)28-37,38-26-23-33-15-5-7-18-36(33)29-38)42-21-11-10-20-40(42)43-39-19-9-8-16-34(39)24-27-41(43)45-30-31-12-2-1-3-13-31/h1-29H,30H2
InChIKeyUSXXLYOSIAFNMA-UHFFFAOYSA-N
XLogP10.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.69
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-[1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-yl]oxygallane
CID 16689049
2-[[4-(bromomethyl)phenyl]methoxy]-1-[2-[[4-(bromomethyl)phenyl]methoxy]naphthalen-1-yl]naphthalene
CID 11227562
1,2-bis(phenylmethoxy)naphthalene
CID 67710722
2-methoxy-1-(2-methoxynaphthalen-1-yl)-3-phenylmethoxynaphthalene
CID 172829442
2-(phenylmethoxymethoxy)-1-[2-(phenylmethoxymethoxymethoxy)naphthalen-1-yl]naphthalene
CID 101190162
2-[1-[2-[[4-[[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethanol
CID 169258581
2-[1-[7-[[3-[[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethanol
CID 176864187
2-[1-[2-[[4-[[1-[2-(hydroxymethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyacetic acid
CID 169262013
2-[(3-methylphenyl)methoxy]-1-phenylnaphthalene
CID 132584959
[4-[5-chloro-2-(2-phenylmethoxynaphthalen-1-yl)phenyl]phenyl]-phenylphosphane
CID 176912346
1-(2-diethoxyphosphorylphenyl)-2-methoxynaphthalene
CID 122233213
dicyclohexyl-[1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-yl]phosphane
CID 23421218

Frequently Asked Questions

What is the IUPAC name of 1-(2-dinaphthalen-2-ylphosphorylphenyl)-2-phenylmethoxynaphthalene?
The IUPAC name of 1-(2-dinaphthalen-2-ylphosphorylphenyl)-2-phenylmethoxynaphthalene (CID 170694617) is 1-(2-dinaphthalen-2-ylphosphorylphenyl)-2-phenylmethoxynaphthalene.
What is the SMILES notation for 1-(2-dinaphthalen-2-ylphosphorylphenyl)-2-phenylmethoxynaphthalene?
The canonical SMILES for 1-(2-dinaphthalen-2-ylphosphorylphenyl)-2-phenylmethoxynaphthalene is O=P(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)c1ccccc1-c1c(OCc2ccccc2)ccc2ccccc12.
What is the InChIKey of 1-(2-dinaphthalen-2-ylphosphorylphenyl)-2-phenylmethoxynaphthalene?
The InChIKey is USXXLYOSIAFNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31O2P/c44-46(37-25-22-32-14-4-6-17-35(32)28-37,38-26-23-33-15-5-7-18-36(33)29-38)42-21-11-10-20-40(42)43-39-19-9-8-16-34(39)24-27-41(43)45-30-31-12-2-1-3-13-31/h1-29H,30H2.
What are the key properties of 1-(2-dinaphthalen-2-ylphosphorylphenyl)-2-phenylmethoxynaphthalene?
1-(2-dinaphthalen-2-ylphosphorylphenyl)-2-phenylmethoxynaphthalene has a molecular weight of 610.69 g/mol, XLogP of 10.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-dinaphthalen-2-ylphosphorylphenyl)-2-phenylmethoxynaphthalene is sourced from PubChem (CID 170694617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).