[2-[2-bis[(4-methylnaphthalen-1-yl)oxy]phosphanyloxy-5-methylphenyl]-4-methylphenyl] bis(4-methylnaphthalen-1-yl) phosphite;ethane

C62H60O6P2 — CID 91235074

IUPAC[2-[2-bis[(4-methylnaphthalen-1-yl)oxy]phosphanyloxy-5-methylphenyl]-4-methylphenyl] bis(4-methylnaphthalen-1-yl) phosphite;ethane
SMILESCC.CC.Cc1ccc(OP(Oc2ccc(C)c3ccccc23)Oc2ccc(C)c3ccccc23)c(-c2cc(C)ccc2OP(Oc2ccc(C)c3ccccc23)Oc2ccc(C)c3ccccc23)c1
InChIInChI=1S/C58H48O6P2.2C2H6/c1-37-23-29-57(63-65(59-53-31-25-39(3)43-15-7-11-19-47(43)53)60-54-32-26-40(4)44-16-8-12-20-48(44)54)51(35-37)52-36-38(2)24-30-58(52)64-66(61-55-33-27-41(5)45-17-9-13-21-49(45)55)62-56-34-28-42(6)46-18-10-14-22-50(46)56;2*1-2/h7-36H,1-6H3;2*1-2H3
InChIKeyNBSLLKFLQGCDTG-UHFFFAOYSA-N
MW963.10 g/mol
LogP19.40
Rot. Bonds13

About [2-[2-bis[(4-methylnaphthalen-1-yl)oxy]phosphanyloxy-5-methylphenyl]-4-methylphenyl] bis(4-methylnaphthalen-1-yl) phosphite;ethane

[2-[2-bis[(4-methylnaphthalen-1-yl)oxy]phosphanyloxy-5-methylphenyl]-4-methylphenyl] bis(4-methylnaphthalen-1-yl) phosphite;ethane (PubChem CID 91235074) has the molecular formula C62H60O6P2 and a molecular weight of 963.10 g/mol. Its IUPAC name is [2-[2-bis[(4-methylnaphthalen-1-yl)oxy]phosphanyloxy-5-methylphenyl]-4-methylphenyl] bis(4-methylnaphthalen-1-yl) phosphite;ethane.

Molecular Properties

Compound Name[2-[2-bis[(4-methylnaphthalen-1-yl)oxy]phosphanyloxy-5-methylphenyl]-4-methylphenyl] bis(4-methylnaphthalen-1-yl) phosphite;ethane
PubChem CID91235074
Molecular FormulaC62H60O6P2
Molecular Weight963.10 g/mol
Exact Mass962.39
IUPAC Name[2-[2-bis[(4-methylnaphthalen-1-yl)oxy]phosphanyloxy-5-methylphenyl]-4-methylphenyl] bis(4-methylnaphthalen-1-yl) phosphite;ethane
SMILESCC.CC.Cc1ccc(OP(Oc2ccc(C)c3ccccc23)Oc2ccc(C)c3ccccc23)c(-c2cc(C)ccc2OP(Oc2ccc(C)c3ccccc23)Oc2ccc(C)c3ccccc23)c1
InChIInChI=1S/C58H48O6P2.2C2H6/c1-37-23-29-57(63-65(59-53-31-25-39(3)43-15-7-11-19-47(43)53)60-54-32-26-40(4)44-16-8-12-20-48(44)54)51(35-37)52-36-38(2)24-30-58(52)64-66(61-55-33-27-41(5)45-17-9-13-21-49(45)55)62-56-34-28-42(6)46-18-10-14-22-50(46)56;2*1-2/h7-36H,1-6H3;2*1-2H3
InChIKeyNBSLLKFLQGCDTG-UHFFFAOYSA-N
XLogP19.40
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500963.10
LogP ≤ 519.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[4-(4-methylphenyl)naphthalen-1-yl]naphthalene
CID 123804574
1-methyl-4-[4-[(4-methylphenyl)methyl]phenoxy]naphthalene
CID 142960457
1-methyl-4-[4-[4-(6-methylnaphthalen-2-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalene
CID 59169275
1-methyl-4-(trideuteriomethoxy)naphthalene
CID 101106578
2-methyl-6-(4-methylnaphthalen-1-yl)anthracene
CID 123178820
2,6-dimethylanthracene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;1,3-xylene;1,4-xylene
CID 157392918
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;bis(1-methylnaphthalene);bis(2-methylnaphthalene)
CID 159884884
2-methoxy-5-(4-methylnaphthalen-1-yl)phenol
CID 53405298
[4-bis(4-hydroxy-2,5-dimethylphenoxy)phosphanyloxy-2,5-dimethylphenyl] (2,5-dimethylphenyl) (4-hydroxy-2,5-dimethylphenyl) phosphite
CID 142908247
tris(2-hydroxy-5-methylphenyl) phosphite
CID 101310923
2-(2,5-dimethylphenyl)naphthalene
CID 59648717
1-methoxy-2-[2-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]-4-methylbenzene
CID 13360661

Frequently Asked Questions

What is the IUPAC name of [2-[2-bis[(4-methylnaphthalen-1-yl)oxy]phosphanyloxy-5-methylphenyl]-4-methylphenyl] bis(4-methylnaphthalen-1-yl) phosphite;ethane?
The IUPAC name of [2-[2-bis[(4-methylnaphthalen-1-yl)oxy]phosphanyloxy-5-methylphenyl]-4-methylphenyl] bis(4-methylnaphthalen-1-yl) phosphite;ethane (CID 91235074) is [2-[2-bis[(4-methylnaphthalen-1-yl)oxy]phosphanyloxy-5-methylphenyl]-4-methylphenyl] bis(4-methylnaphthalen-1-yl) phosphite;ethane.
What is the SMILES notation for [2-[2-bis[(4-methylnaphthalen-1-yl)oxy]phosphanyloxy-5-methylphenyl]-4-methylphenyl] bis(4-methylnaphthalen-1-yl) phosphite;ethane?
The canonical SMILES for [2-[2-bis[(4-methylnaphthalen-1-yl)oxy]phosphanyloxy-5-methylphenyl]-4-methylphenyl] bis(4-methylnaphthalen-1-yl) phosphite;ethane is CC.CC.Cc1ccc(OP(Oc2ccc(C)c3ccccc23)Oc2ccc(C)c3ccccc23)c(-c2cc(C)ccc2OP(Oc2ccc(C)c3ccccc23)Oc2ccc(C)c3ccccc23)c1.
What is the InChIKey of [2-[2-bis[(4-methylnaphthalen-1-yl)oxy]phosphanyloxy-5-methylphenyl]-4-methylphenyl] bis(4-methylnaphthalen-1-yl) phosphite;ethane?
The InChIKey is NBSLLKFLQGCDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H48O6P2.2C2H6/c1-37-23-29-57(63-65(59-53-31-25-39(3)43-15-7-11-19-47(43)53)60-54-32-26-40(4)44-16-8-12-20-48(44)54)51(35-37)52-36-38(2)24-30-58(52)64-66(61-55-33-27-41(5)45-17-9-13-21-49(45)55)62-56-34-28-42(6)46-18-10-14-22-50(46)56;2*1-2/h7-36H,1-6H3;2*1-2H3.
What are the key properties of [2-[2-bis[(4-methylnaphthalen-1-yl)oxy]phosphanyloxy-5-methylphenyl]-4-methylphenyl] bis(4-methylnaphthalen-1-yl) phosphite;ethane?
[2-[2-bis[(4-methylnaphthalen-1-yl)oxy]phosphanyloxy-5-methylphenyl]-4-methylphenyl] bis(4-methylnaphthalen-1-yl) phosphite;ethane has a molecular weight of 963.10 g/mol, XLogP of 19.40, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-bis[(4-methylnaphthalen-1-yl)oxy]phosphanyloxy-5-methylphenyl]-4-methylphenyl] bis(4-methylnaphthalen-1-yl) phosphite;ethane is sourced from PubChem (CID 91235074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).