[1-(3,6-dimethylpyrazin-2-yl)naphthalen-2-yl]-diphenylphosphane

C28H23N2P — CID 15430391

IUPAC[1-(3,6-dimethylpyrazin-2-yl)naphthalen-2-yl]-diphenylphosphane
SMILESCc1cnc(C)c(-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)n1
InChIInChI=1S/C28H23N2P/c1-20-19-29-21(2)28(30-20)27-25-16-10-9-11-22(25)17-18-26(27)31(23-12-5-3-6-13-23)24-14-7-4-8-15-24/h3-19H,1-2H3
InChIKeyFGTODEWLNLGNBK-UHFFFAOYSA-N
MW418.48 g/mol
LogP5.67
Rot. Bonds4

About [1-(3,6-dimethylpyrazin-2-yl)naphthalen-2-yl]-diphenylphosphane

[1-(3,6-dimethylpyrazin-2-yl)naphthalen-2-yl]-diphenylphosphane (PubChem CID 15430391) has the molecular formula C28H23N2P and a molecular weight of 418.48 g/mol. Its IUPAC name is [1-(3,6-dimethylpyrazin-2-yl)naphthalen-2-yl]-diphenylphosphane.

Molecular Properties

Compound Name[1-(3,6-dimethylpyrazin-2-yl)naphthalen-2-yl]-diphenylphosphane
PubChem CID15430391
Molecular FormulaC28H23N2P
Molecular Weight418.48 g/mol
Exact Mass418.16
IUPAC Name[1-(3,6-dimethylpyrazin-2-yl)naphthalen-2-yl]-diphenylphosphane
SMILESCc1cnc(C)c(-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)n1
InChIInChI=1S/C28H23N2P/c1-20-19-29-21(2)28(30-20)27-25-16-10-9-11-22(25)17-18-26(27)31(23-12-5-3-6-13-23)24-14-7-4-8-15-24/h3-19H,1-2H3
InChIKeyFGTODEWLNLGNBK-UHFFFAOYSA-N
XLogP5.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.48
LogP ≤ 55.67
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-methylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
CID 21335175
bis([1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane);bis(rhodium);dihydrate
CID 73162021
[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-methyl-phenylphosphane
CID 11981183
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;dihydrobromide
CID 173284385
[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
[1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane
CID 4189905
diphenyl-[1-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]phosphane
CID 139996333
[1-[2-(4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
CID 101172090

Frequently Asked Questions

What is the IUPAC name of [1-(3,6-dimethylpyrazin-2-yl)naphthalen-2-yl]-diphenylphosphane?
The IUPAC name of [1-(3,6-dimethylpyrazin-2-yl)naphthalen-2-yl]-diphenylphosphane (CID 15430391) is [1-(3,6-dimethylpyrazin-2-yl)naphthalen-2-yl]-diphenylphosphane.
What is the SMILES notation for [1-(3,6-dimethylpyrazin-2-yl)naphthalen-2-yl]-diphenylphosphane?
The canonical SMILES for [1-(3,6-dimethylpyrazin-2-yl)naphthalen-2-yl]-diphenylphosphane is Cc1cnc(C)c(-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)n1.
What is the InChIKey of [1-(3,6-dimethylpyrazin-2-yl)naphthalen-2-yl]-diphenylphosphane?
The InChIKey is FGTODEWLNLGNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N2P/c1-20-19-29-21(2)28(30-20)27-25-16-10-9-11-22(25)17-18-26(27)31(23-12-5-3-6-13-23)24-14-7-4-8-15-24/h3-19H,1-2H3.
What are the key properties of [1-(3,6-dimethylpyrazin-2-yl)naphthalen-2-yl]-diphenylphosphane?
[1-(3,6-dimethylpyrazin-2-yl)naphthalen-2-yl]-diphenylphosphane has a molecular weight of 418.48 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,6-dimethylpyrazin-2-yl)naphthalen-2-yl]-diphenylphosphane is sourced from PubChem (CID 15430391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).