bis[4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane

C122H108NO15P — CID 102430668

IUPACbis[4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane
SMILESCC(C)[C@H]1COC(c2ccccc2P(c2ccc(OCc3cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)c3)cc2)c2ccc(OCc3cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)c3)cc2)=N1
InChIInChI=1S/C122H108NO15P/c1-88(2)120-87-138-122(123-120)119-45-27-28-46-121(119)139(117-51-47-103(48-52-117)124-81-97-55-113(134-83-99-59-105(126-73-89-29-11-3-12-30-89)67-106(60-99)127-74-90-31-13-4-14-32-90)71-114(56-97)135-84-100-61-107(128-75-91-33-15-5-16-34-91)68-108(62-100)129-76-92-35-17-6-18-36-92)118-53-49-104(50-54-118)125-82-98-57-115(136-85-101-63-109(130-77-93-37-19-7-20-38-93)69-110(64-101)131-78-94-39-21-8-22-40-94)72-116(58-98)137-86-102-65-111(132-79-95-41-23-9-24-42-95)70-112(66-102)133-80-96-43-25-10-26-44-96/h3-72,88,120H,73-87H2,1-2H3/t120-/m1/s1
InChIKeyNHLFBESWGLGPMF-MJSMXFQUSA-N
MW1859.17 g/mol
LogP26.35
Rot. Bonds47

About bis[4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane

bis[4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane (PubChem CID 102430668) has the molecular formula C122H108NO15P and a molecular weight of 1859.17 g/mol. Its IUPAC name is bis[4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane.

Molecular Properties

Compound Namebis[4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane
PubChem CID102430668
Molecular FormulaC122H108NO15P
Molecular Weight1859.17 g/mol
Exact Mass1857.75
IUPAC Namebis[4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane
SMILESCC(C)[C@H]1COC(c2ccccc2P(c2ccc(OCc3cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)c3)cc2)c2ccc(OCc3cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)c3)cc2)=N1
InChIInChI=1S/C122H108NO15P/c1-88(2)120-87-138-122(123-120)119-45-27-28-46-121(119)139(117-51-47-103(48-52-117)124-81-97-55-113(134-83-99-59-105(126-73-89-29-11-3-12-30-89)67-106(60-99)127-74-90-31-13-4-14-32-90)71-114(56-97)135-84-100-61-107(128-75-91-33-15-5-16-34-91)68-108(62-100)129-76-92-35-17-6-18-36-92)118-53-49-104(50-54-118)125-82-98-57-115(136-85-101-63-109(130-77-93-37-19-7-20-38-93)69-110(64-101)131-78-94-39-21-8-22-40-94)72-116(58-98)137-86-102-65-111(132-79-95-41-23-9-24-42-95)70-112(66-102)133-80-96-43-25-10-26-44-96/h3-72,88,120H,73-87H2,1-2H3/t120-/m1/s1
InChIKeyNHLFBESWGLGPMF-MJSMXFQUSA-N
XLogP26.35
TPSA150.81 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds47
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001859.17
LogP ≤ 526.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze bis[4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis[4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane?
The IUPAC name of bis[4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane (CID 102430668) is bis[4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane.
What is the SMILES notation for bis[4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane?
The canonical SMILES for bis[4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane is CC(C)[C@H]1COC(c2ccccc2P(c2ccc(OCc3cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)c3)cc2)c2ccc(OCc3cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)c3)cc2)=N1.
What is the InChIKey of bis[4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane?
The InChIKey is NHLFBESWGLGPMF-MJSMXFQUSA-N. The full InChI is InChI=1S/C122H108NO15P/c1-88(2)120-87-138-122(123-120)119-45-27-28-46-121(119)139(117-51-47-103(48-52-117)124-81-97-55-113(134-83-99-59-105(126-73-89-29-11-3-12-30-89)67-106(60-99)127-74-90-31-13-4-14-32-90)71-114(56-97)135-84-100-61-107(128-75-91-33-15-5-16-34-91)68-108(62-100)129-76-92-35-17-6-18-36-92)118-53-49-104(50-54-118)125-82-98-57-115(136-85-101-63-109(130-77-93-37-19-7-20-38-93)69-110(64-101)131-78-94-39-21-8-22-40-94)72-116(58-98)137-86-102-65-111(132-79-95-41-23-9-24-42-95)70-112(66-102)133-80-96-43-25-10-26-44-96/h3-72,88,120H,73-87H2,1-2H3/t120-/m1/s1.
What are the key properties of bis[4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane?
bis[4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane has a molecular weight of 1859.17 g/mol, XLogP of 26.35, 47 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane is sourced from PubChem (CID 102430668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).