diphenyl-[1-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane

C41H30NOP — CID 44604315

IUPACdiphenyl-[1-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane
SMILESc1ccc([C@H]2COC(c3ccc4ccccc4c3-c3c(P(c4ccccc4)c4ccccc4)ccc4ccccc34)=N2)cc1
InChIInChI=1S/C41H30NOP/c1-4-16-31(17-5-1)37-28-43-41(42-37)36-26-24-29-14-10-12-22-34(29)39(36)40-35-23-13-11-15-30(35)25-27-38(40)44(32-18-6-2-7-19-32)33-20-8-3-9-21-33/h1-27,37H,28H2/t37-/m1/s1
InChIKeyLDRZNEUEMQLHJK-DIPNUNPCSA-N
MW583.67 g/mol
LogP8.94
Rot. Bonds6

About diphenyl-[1-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane

diphenyl-[1-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane (PubChem CID 44604315) has the molecular formula C41H30NOP and a molecular weight of 583.67 g/mol. Its IUPAC name is diphenyl-[1-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane.

Molecular Properties

Compound Namediphenyl-[1-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane
PubChem CID44604315
Molecular FormulaC41H30NOP
Molecular Weight583.67 g/mol
Exact Mass583.21
IUPAC Namediphenyl-[1-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane
SMILESc1ccc([C@H]2COC(c3ccc4ccccc4c3-c3c(P(c4ccccc4)c4ccccc4)ccc4ccccc34)=N2)cc1
InChIInChI=1S/C41H30NOP/c1-4-16-31(17-5-1)37-28-43-41(42-37)36-26-24-29-14-10-12-22-34(29)39(36)40-35-23-13-11-15-30(35)25-27-38(40)44(32-18-6-2-7-19-32)33-20-8-3-9-21-33/h1-27,37H,28H2/t37-/m1/s1
InChIKeyLDRZNEUEMQLHJK-DIPNUNPCSA-N
XLogP8.94
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.67
LogP ≤ 58.94
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 diphenyl-[1-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane?
The IUPAC name of diphenyl-[1-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane (CID 44604315) is diphenyl-[1-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane.
What is the SMILES notation for diphenyl-[1-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane?
The canonical SMILES for diphenyl-[1-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane is c1ccc([C@H]2COC(c3ccc4ccccc4c3-c3c(P(c4ccccc4)c4ccccc4)ccc4ccccc34)=N2)cc1.
What is the InChIKey of diphenyl-[1-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane?
The InChIKey is LDRZNEUEMQLHJK-DIPNUNPCSA-N. The full InChI is InChI=1S/C41H30NOP/c1-4-16-31(17-5-1)37-28-43-41(42-37)36-26-24-29-14-10-12-22-34(29)39(36)40-35-23-13-11-15-30(35)25-27-38(40)44(32-18-6-2-7-19-32)33-20-8-3-9-21-33/h1-27,37H,28H2/t37-/m1/s1.
What are the key properties of diphenyl-[1-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane?
diphenyl-[1-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane has a molecular weight of 583.67 g/mol, XLogP of 8.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[1-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane is sourced from PubChem (CID 44604315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).