[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-(4-methoxyphenyl)-phenylphosphane

C34H27O2P — CID 177405371

IUPAC[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-(4-methoxyphenyl)-phenylphosphane
SMILESCOc1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(OC)ccc3ccccc23)cc1
InChIInChI=1S/C34H27O2P/c1-35-26-18-20-28(21-19-26)37(27-12-4-3-5-13-27)32-23-17-25-11-7-9-15-30(25)34(32)33-29-14-8-6-10-24(29)16-22-31(33)36-2/h3-23H,1-2H3
InChIKeyLGDJVIOVKDGTPU-UHFFFAOYSA-N
MW498.56 g/mol
LogP7.44
Rot. Bonds6

About [1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-(4-methoxyphenyl)-phenylphosphane

[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-(4-methoxyphenyl)-phenylphosphane (PubChem CID 177405371) has the molecular formula C34H27O2P and a molecular weight of 498.56 g/mol. Its IUPAC name is [1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-(4-methoxyphenyl)-phenylphosphane.

Molecular Properties

Compound Name[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-(4-methoxyphenyl)-phenylphosphane
PubChem CID177405371
Molecular FormulaC34H27O2P
Molecular Weight498.56 g/mol
Exact Mass498.17
IUPAC Name[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-(4-methoxyphenyl)-phenylphosphane
SMILESCOc1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(OC)ccc3ccccc23)cc1
InChIInChI=1S/C34H27O2P/c1-35-26-18-20-28(21-19-26)37(27-12-4-3-5-13-27)32-23-17-25-11-7-9-15-30(25)34(32)33-29-14-8-6-10-24(29)16-22-31(33)36-2/h3-23H,1-2H3
InChIKeyLGDJVIOVKDGTPU-UHFFFAOYSA-N
XLogP7.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.56
LogP ≤ 57.44
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

[1-[2-bis(4-methoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxyphenyl)phosphane
CID 10462740
[4-(3-methoxyphenanthren-4-yl)phenanthren-3-yl]-diphenylphosphane
CID 11006296
bis([1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane);bis(rhodium);dihydrate
CID 73162021
methyl 3-[5-(2-diphenylphosphanylnaphthalen-1-yl)-6-methoxynaphthalen-2-yl]propanoate
CID 101349305
[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;ruthenium;dihydrobromide
CID 173284385
[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-methyl-phenylphosphane
CID 11981183
[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
CID 21335175
carbon monoxide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;rhodium
CID 139254479
[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(1+);acetate
CID 21202945
diphenyl-[1-(2-phosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane
CID 59732549
[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;ruthenium(2+);dichloride
CID 173032958
diethylazanide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(2+);chloride
CID 54759317

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-(4-methoxyphenyl)-phenylphosphane?
The IUPAC name of [1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-(4-methoxyphenyl)-phenylphosphane (CID 177405371) is [1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-(4-methoxyphenyl)-phenylphosphane.
What is the SMILES notation for [1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-(4-methoxyphenyl)-phenylphosphane?
The canonical SMILES for [1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-(4-methoxyphenyl)-phenylphosphane is COc1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(OC)ccc3ccccc23)cc1.
What is the InChIKey of [1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-(4-methoxyphenyl)-phenylphosphane?
The InChIKey is LGDJVIOVKDGTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27O2P/c1-35-26-18-20-28(21-19-26)37(27-12-4-3-5-13-27)32-23-17-25-11-7-9-15-30(25)34(32)33-29-14-8-6-10-24(29)16-22-31(33)36-2/h3-23H,1-2H3.
What are the key properties of [1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-(4-methoxyphenyl)-phenylphosphane?
[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-(4-methoxyphenyl)-phenylphosphane has a molecular weight of 498.56 g/mol, XLogP of 7.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-(4-methoxyphenyl)-phenylphosphane is sourced from PubChem (CID 177405371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).