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

C38H32NOP — CID 10918650

IUPACdiphenyl-[1-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane
SMILESCC(C)[C@H]1COC(c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)=N1
InChIInChI=1S/C38H32NOP/c1-26(2)34-25-40-38(39-34)33-23-21-27-13-9-11-19-31(27)36(33)37-32-20-12-10-14-28(32)22-24-35(37)41(29-15-5-3-6-16-29)30-17-7-4-8-18-30/h3-24,26,34H,25H2,1-2H3/t34-/m1/s1
InChIKeyLPYCPMYYNGDEEZ-UUWRZZSWSA-N
MW549.65 g/mol
LogP8.22
Rot. Bonds6

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

diphenyl-[1-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane (PubChem CID 10918650) has the molecular formula C38H32NOP and a molecular weight of 549.65 g/mol. Its IUPAC name is diphenyl-[1-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane.

Molecular Properties

Compound Namediphenyl-[1-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane
PubChem CID10918650
Molecular FormulaC38H32NOP
Molecular Weight549.65 g/mol
Exact Mass549.22
IUPAC Namediphenyl-[1-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane
SMILESCC(C)[C@H]1COC(c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)=N1
InChIInChI=1S/C38H32NOP/c1-26(2)34-25-40-38(39-34)33-23-21-27-13-9-11-19-31(27)36(33)37-32-20-12-10-14-28(32)22-24-35(37)41(29-15-5-3-6-16-29)30-17-7-4-8-18-30/h3-24,26,34H,25H2,1-2H3/t34-/m1/s1
InChIKeyLPYCPMYYNGDEEZ-UUWRZZSWSA-N
XLogP8.22
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.65
LogP ≤ 58.22
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-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane?
The IUPAC name of diphenyl-[1-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane (CID 10918650) is diphenyl-[1-[2-[(4S)-4-propan-2-yl-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-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane?
The canonical SMILES for diphenyl-[1-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane is CC(C)[C@H]1COC(c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)=N1.
What is the InChIKey of diphenyl-[1-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane?
The InChIKey is LPYCPMYYNGDEEZ-UUWRZZSWSA-N. The full InChI is InChI=1S/C38H32NOP/c1-26(2)34-25-40-38(39-34)33-23-21-27-13-9-11-19-31(27)36(33)37-32-20-12-10-14-28(32)22-24-35(37)41(29-15-5-3-6-16-29)30-17-7-4-8-18-30/h3-24,26,34H,25H2,1-2H3/t34-/m1/s1.
What are the key properties of diphenyl-[1-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane?
diphenyl-[1-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane has a molecular weight of 549.65 g/mol, XLogP of 8.22, 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-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane is sourced from PubChem (CID 10918650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).