[6-[[3,5-bis[[3,5-bis(prop-2-enoxy)phenyl]methoxy]phenyl]methoxymethyl]-1-[6-[[3,5-bis[[3,5-bis(prop-2-enoxy)phenyl]methoxy]phenyl]methoxymethyl]-2-diphenylphosphanylnaphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane

C112H104O14P2 — CID 101466208

IUPAC[6-[[3,5-bis[[3,5-bis(prop-2-enoxy)phenyl]methoxy]phenyl]methoxymethyl]-1-[6-[[3,5-bis[[3,5-bis(prop-2-enoxy)phenyl]methoxy]phenyl]methoxymethyl]-2-diphenylphosphanylnaphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
SMILESC=CCOc1cc(COc2cc(COCc3ccc4c(-c5c(P(c6ccccc6)c6ccccc6)ccc6cc(COCc7cc(OCc8cc(OCC=C)cc(OCC=C)c8)cc(OCc8cc(OCC=C)cc(OCC=C)c8)c7)ccc56)c(P(c5ccccc5)c5ccccc5)ccc4c3)cc(OCc3cc(OCC=C)cc(OCC=C)c3)c2)cc(OCC=C)c1
InChIInChI=1S/C112H104O14P2/c1-9-45-115-91-59-85(60-92(67-91)116-46-10-2)77-123-99-55-83(56-100(71-99)124-78-86-61-93(117-47-11-3)68-94(62-86)118-48-12-4)75-113-73-81-37-41-107-89(53-81)39-43-109(127(103-29-21-17-22-30-103)104-31-23-18-24-32-104)111(107)112-108-42-38-82(54-90(108)40-44-110(112)128(105-33-25-19-26-34-105)106-35-27-20-28-36-106)74-114-76-84-57-101(125-79-87-63-95(119-49-13-5)69-96(64-87)120-50-14-6)72-102(58-84)126-80-88-65-97(121-51-15-7)70-98(66-88)122-52-16-8/h9-44,53-72H,1-8,45-52,73-80H2
InChIKeyLNRIXRIGTQEAJZ-UHFFFAOYSA-N
MW1736.00 g/mol
LogP23.44
Rot. Bonds51

About [6-[[3,5-bis[[3,5-bis(prop-2-enoxy)phenyl]methoxy]phenyl]methoxymethyl]-1-[6-[[3,5-bis[[3,5-bis(prop-2-enoxy)phenyl]methoxy]phenyl]methoxymethyl]-2-diphenylphosphanylnaphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane

[6-[[3,5-bis[[3,5-bis(prop-2-enoxy)phenyl]methoxy]phenyl]methoxymethyl]-1-[6-[[3,5-bis[[3,5-bis(prop-2-enoxy)phenyl]methoxy]phenyl]methoxymethyl]-2-diphenylphosphanylnaphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane (PubChem CID 101466208) has the molecular formula C112H104O14P2 and a molecular weight of 1736.00 g/mol. Its IUPAC name is [6-[[3,5-bis[[3,5-bis(prop-2-enoxy)phenyl]methoxy]phenyl]methoxymethyl]-1-[6-[[3,5-bis[[3,5-bis(prop-2-enoxy)phenyl]methoxy]phenyl]methoxymethyl]-2-diphenylphosphanylnaphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane.

Molecular Properties

Compound Name[6-[[3,5-bis[[3,5-bis(prop-2-enoxy)phenyl]methoxy]phenyl]methoxymethyl]-1-[6-[[3,5-bis[[3,5-bis(prop-2-enoxy)phenyl]methoxy]phenyl]methoxymethyl]-2-diphenylphosphanylnaphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
PubChem CID101466208
Molecular FormulaC112H104O14P2
Molecular Weight1736.00 g/mol
Exact Mass1734.69
IUPAC Name[6-[[3,5-bis[[3,5-bis(prop-2-enoxy)phenyl]methoxy]phenyl]methoxymethyl]-1-[6-[[3,5-bis[[3,5-bis(prop-2-enoxy)phenyl]methoxy]phenyl]methoxymethyl]-2-diphenylphosphanylnaphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
SMILESC=CCOc1cc(COc2cc(COCc3ccc4c(-c5c(P(c6ccccc6)c6ccccc6)ccc6cc(COCc7cc(OCc8cc(OCC=C)cc(OCC=C)c8)cc(OCc8cc(OCC=C)cc(OCC=C)c8)c7)ccc56)c(P(c5ccccc5)c5ccccc5)ccc4c3)cc(OCc3cc(OCC=C)cc(OCC=C)c3)c2)cc(OCC=C)c1
InChIInChI=1S/C112H104O14P2/c1-9-45-115-91-59-85(60-92(67-91)116-46-10-2)77-123-99-55-83(56-100(71-99)124-78-86-61-93(117-47-11-3)68-94(62-86)118-48-12-4)75-113-73-81-37-41-107-89(53-81)39-43-109(127(103-29-21-17-22-30-103)104-31-23-18-24-32-104)111(107)112-108-42-38-82(54-90(108)40-44-110(112)128(105-33-25-19-26-34-105)106-35-27-20-28-36-106)74-114-76-84-57-101(125-79-87-63-95(119-49-13-5)69-96(64-87)120-50-14-6)72-102(58-84)126-80-88-65-97(121-51-15-7)70-98(66-88)122-52-16-8/h9-44,53-72H,1-8,45-52,73-80H2
InChIKeyLNRIXRIGTQEAJZ-UHFFFAOYSA-N
XLogP23.44
TPSA129.22 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds51
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001736.00
LogP ≤ 523.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze [6-[[3,5-bis[[3,5-bis(prop-2-enoxy)phenyl]methoxy]phenyl]methoxymethyl]-1-[6-[[3,5-bis[[3,5-bis(prop-2-enoxy)phenyl]methoxy]phenyl]methoxymethyl]-2-diphenylphosphanylnaphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-[[3,5-bis[[3,5-bis(prop-2-enoxy)phenyl]methoxy]phenyl]methoxymethyl]-1-[6-[[3,5-bis[[3,5-bis(prop-2-enoxy)phenyl]methoxy]phenyl]methoxymethyl]-2-diphenylphosphanylnaphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane?
The IUPAC name of [6-[[3,5-bis[[3,5-bis(prop-2-enoxy)phenyl]methoxy]phenyl]methoxymethyl]-1-[6-[[3,5-bis[[3,5-bis(prop-2-enoxy)phenyl]methoxy]phenyl]methoxymethyl]-2-diphenylphosphanylnaphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane (CID 101466208) is [6-[[3,5-bis[[3,5-bis(prop-2-enoxy)phenyl]methoxy]phenyl]methoxymethyl]-1-[6-[[3,5-bis[[3,5-bis(prop-2-enoxy)phenyl]methoxy]phenyl]methoxymethyl]-2-diphenylphosphanylnaphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane.
What is the SMILES notation for [6-[[3,5-bis[[3,5-bis(prop-2-enoxy)phenyl]methoxy]phenyl]methoxymethyl]-1-[6-[[3,5-bis[[3,5-bis(prop-2-enoxy)phenyl]methoxy]phenyl]methoxymethyl]-2-diphenylphosphanylnaphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane?
The canonical SMILES for [6-[[3,5-bis[[3,5-bis(prop-2-enoxy)phenyl]methoxy]phenyl]methoxymethyl]-1-[6-[[3,5-bis[[3,5-bis(prop-2-enoxy)phenyl]methoxy]phenyl]methoxymethyl]-2-diphenylphosphanylnaphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane is C=CCOc1cc(COc2cc(COCc3ccc4c(-c5c(P(c6ccccc6)c6ccccc6)ccc6cc(COCc7cc(OCc8cc(OCC=C)cc(OCC=C)c8)cc(OCc8cc(OCC=C)cc(OCC=C)c8)c7)ccc56)c(P(c5ccccc5)c5ccccc5)ccc4c3)cc(OCc3cc(OCC=C)cc(OCC=C)c3)c2)cc(OCC=C)c1.
What is the InChIKey of [6-[[3,5-bis[[3,5-bis(prop-2-enoxy)phenyl]methoxy]phenyl]methoxymethyl]-1-[6-[[3,5-bis[[3,5-bis(prop-2-enoxy)phenyl]methoxy]phenyl]methoxymethyl]-2-diphenylphosphanylnaphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane?
The InChIKey is LNRIXRIGTQEAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C112H104O14P2/c1-9-45-115-91-59-85(60-92(67-91)116-46-10-2)77-123-99-55-83(56-100(71-99)124-78-86-61-93(117-47-11-3)68-94(62-86)118-48-12-4)75-113-73-81-37-41-107-89(53-81)39-43-109(127(103-29-21-17-22-30-103)104-31-23-18-24-32-104)111(107)112-108-42-38-82(54-90(108)40-44-110(112)128(105-33-25-19-26-34-105)106-35-27-20-28-36-106)74-114-76-84-57-101(125-79-87-63-95(119-49-13-5)69-96(64-87)120-50-14-6)72-102(58-84)126-80-88-65-97(121-51-15-7)70-98(66-88)122-52-16-8/h9-44,53-72H,1-8,45-52,73-80H2.
What are the key properties of [6-[[3,5-bis[[3,5-bis(prop-2-enoxy)phenyl]methoxy]phenyl]methoxymethyl]-1-[6-[[3,5-bis[[3,5-bis(prop-2-enoxy)phenyl]methoxy]phenyl]methoxymethyl]-2-diphenylphosphanylnaphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane?
[6-[[3,5-bis[[3,5-bis(prop-2-enoxy)phenyl]methoxy]phenyl]methoxymethyl]-1-[6-[[3,5-bis[[3,5-bis(prop-2-enoxy)phenyl]methoxy]phenyl]methoxymethyl]-2-diphenylphosphanylnaphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane has a molecular weight of 1736.00 g/mol, XLogP of 23.44, 51 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[3,5-bis[[3,5-bis(prop-2-enoxy)phenyl]methoxy]phenyl]methoxymethyl]-1-[6-[[3,5-bis[[3,5-bis(prop-2-enoxy)phenyl]methoxy]phenyl]methoxymethyl]-2-diphenylphosphanylnaphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane is sourced from PubChem (CID 101466208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).