diphenyl-[11-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phosphane

C34H34NOP — CID 11605813

IUPACdiphenyl-[11-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phosphane
SMILESCC(C)[C@H]1COC(c2cc3ccc2CCc2ccc(c(P(c4ccccc4)c4ccccc4)c2)CC3)=N1
InChIInChI=1S/C34H34NOP/c1-24(2)32-23-36-34(35-32)31-21-25-13-17-27(31)18-14-26-16-20-28(19-15-25)33(22-26)37(29-9-5-3-6-10-29)30-11-7-4-8-12-30/h3-13,16-17,20-22,24,32H,14-15,18-19,23H2,1-2H3/t32-/m1/s1
InChIKeyAXCUTWQIHKTXNZ-JGCGQSQUSA-N
MW503.63 g/mol
LogP6.13
Rot. Bonds5

About diphenyl-[11-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phosphane

diphenyl-[11-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phosphane (PubChem CID 11605813) has the molecular formula C34H34NOP and a molecular weight of 503.63 g/mol. Its IUPAC name is diphenyl-[11-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phosphane.

Molecular Properties

Compound Namediphenyl-[11-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phosphane
PubChem CID11605813
Molecular FormulaC34H34NOP
Molecular Weight503.63 g/mol
Exact Mass503.24
IUPAC Namediphenyl-[11-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phosphane
SMILESCC(C)[C@H]1COC(c2cc3ccc2CCc2ccc(c(P(c4ccccc4)c4ccccc4)c2)CC3)=N1
InChIInChI=1S/C34H34NOP/c1-24(2)32-23-36-34(35-32)31-21-25-13-17-27(31)18-14-26-16-20-28(19-15-25)33(22-26)37(29-9-5-3-6-10-29)30-11-7-4-8-12-30/h3-13,16-17,20-22,24,32H,14-15,18-19,23H2,1-2H3/t32-/m1/s1
InChIKeyAXCUTWQIHKTXNZ-JGCGQSQUSA-N
XLogP6.13
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.63
LogP ≤ 56.13
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-[11-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phosphane?
The IUPAC name of diphenyl-[11-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phosphane (CID 11605813) is diphenyl-[11-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phosphane.
What is the SMILES notation for diphenyl-[11-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phosphane?
The canonical SMILES for diphenyl-[11-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phosphane is CC(C)[C@H]1COC(c2cc3ccc2CCc2ccc(c(P(c4ccccc4)c4ccccc4)c2)CC3)=N1.
What is the InChIKey of diphenyl-[11-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phosphane?
The InChIKey is AXCUTWQIHKTXNZ-JGCGQSQUSA-N. The full InChI is InChI=1S/C34H34NOP/c1-24(2)32-23-36-34(35-32)31-21-25-13-17-27(31)18-14-26-16-20-28(19-15-25)33(22-26)37(29-9-5-3-6-10-29)30-11-7-4-8-12-30/h3-13,16-17,20-22,24,32H,14-15,18-19,23H2,1-2H3/t32-/m1/s1.
What are the key properties of diphenyl-[11-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phosphane?
diphenyl-[11-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phosphane has a molecular weight of 503.63 g/mol, XLogP of 6.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[11-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phosphane is sourced from PubChem (CID 11605813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).