[1-[2-(4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane

C35H26NOP — CID 101172090

IUPAC[1-[2-(4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(C3=NCCO3)ccc3ccccc23)cc1
InChIInChI=1S/C35H26NOP/c1-3-13-27(14-4-1)38(28-15-5-2-6-16-28)32-22-20-26-12-8-10-18-30(26)34(32)33-29-17-9-7-11-25(29)19-21-31(33)35-36-23-24-37-35/h1-22H,23-24H2
InChIKeySIPBUIUIFAXQOJ-UHFFFAOYSA-N
MW507.57 g/mol
LogP7.20
Rot. Bonds5

About [1-[2-(4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane

[1-[2-(4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane (PubChem CID 101172090) has the molecular formula C35H26NOP and a molecular weight of 507.57 g/mol. Its IUPAC name is [1-[2-(4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane.

Molecular Properties

Compound Name[1-[2-(4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
PubChem CID101172090
Molecular FormulaC35H26NOP
Molecular Weight507.57 g/mol
Exact Mass507.18
IUPAC Name[1-[2-(4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(C3=NCCO3)ccc3ccccc23)cc1
InChIInChI=1S/C35H26NOP/c1-3-13-27(14-4-1)38(28-15-5-2-6-16-28)32-22-20-26-12-8-10-18-30(26)34(32)33-29-17-9-7-11-25(29)19-21-31(33)35-36-23-24-37-35/h1-22H,23-24H2
InChIKeySIPBUIUIFAXQOJ-UHFFFAOYSA-N
XLogP7.20
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.57
LogP ≤ 57.20
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

diphenyl-[1-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane
CID 170897364
[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane
CID 15410205
bis([1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane);bis(rhodium);dihydrate
CID 73162021
[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane;ethane
CID 143467946
carbon monoxide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;rhodium
CID 139254479
diphenyl-[1-(2-phosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane
CID 59732549
[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
CID 21335175
[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-methyl-phenylphosphane
CID 11981183
[1-[2-(3-fluorophenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
CID 164886915
[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(1+);acetate
CID 21202945
[1-(3,6-dimethylpyrazin-2-yl)naphthalen-2-yl]-diphenylphosphane
CID 15430391
[1-(2-cyclobutylquinazolin-4-yl)naphthalen-2-yl]-diphenylphosphane
CID 25146331

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane?
The IUPAC name of [1-[2-(4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane (CID 101172090) is [1-[2-(4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane.
What is the SMILES notation for [1-[2-(4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane?
The canonical SMILES for [1-[2-(4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane is c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(C3=NCCO3)ccc3ccccc23)cc1.
What is the InChIKey of [1-[2-(4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane?
The InChIKey is SIPBUIUIFAXQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26NOP/c1-3-13-27(14-4-1)38(28-15-5-2-6-16-28)32-22-20-26-12-8-10-18-30(26)34(32)33-29-17-9-7-11-25(29)19-21-31(33)35-36-23-24-37-35/h1-22H,23-24H2.
What are the key properties of [1-[2-(4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane?
[1-[2-(4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane has a molecular weight of 507.57 g/mol, XLogP of 7.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane is sourced from PubChem (CID 101172090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).