[1-[2-bis(2-methylphenoxy)phosphanyloxy-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl] bis(2-methylphenyl) phosphite;[2-[2-bis(2-methylphenoxy)phosphanyloxy-3,4,5,6-tetramethylphenyl]-3,4,5,6-tetramethylphenyl] bis(2-methylphenyl) phosphite

C98H96O12P4 — CID 90856243

IUPAC[1-[2-bis(2-methylphenoxy)phosphanyloxy-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl] bis(2-methylphenyl) phosphite;[2-[2-bis(2-methylphenoxy)phosphanyloxy-3,4,5,6-tetramethylphenyl]-3,4,5,6-tetramethylphenyl] bis(2-methylphenyl) phosphite
SMILESCc1ccccc1OP(Oc1ccccc1C)Oc1c(C)c(C)c(C)c(C)c1-c1c(C)c(C)c(C)c(C)c1OP(Oc1ccccc1C)Oc1ccccc1C.Cc1ccccc1OP(Oc1ccccc1C)Oc1c(C)cc2ccccc2c1-c1c(OP(Oc2ccccc2C)Oc2ccccc2C)c(C)cc2ccccc12
InChIInChI=1S/C50H44O6P2.C48H52O6P2/c1-33-19-7-15-27-43(33)51-57(52-44-28-16-8-20-34(44)2)55-49-37(5)31-39-23-11-13-25-41(39)47(49)48-42-26-14-12-24-40(42)32-38(6)50(48)56-58(53-45-29-17-9-21-35(45)3)54-46-30-18-10-22-36(46)4;1-29-21-13-17-25-41(29)49-55(50-42-26-18-14-22-30(42)2)53-47-39(11)35(7)33(5)37(9)45(47)46-38(10)34(6)36(8)40(12)48(46)54-56(51-43-27-19-15-23-31(43)3)52-44-28-20-16-24-32(44)4/h7-32H,1-6H3;13-28H,1-12H3
InChIKeyYTTADIJLBQOGGP-UHFFFAOYSA-N
MW1589.73 g/mol
LogP29.62
Rot. Bonds26

About [1-[2-bis(2-methylphenoxy)phosphanyloxy-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl] bis(2-methylphenyl) phosphite;[2-[2-bis(2-methylphenoxy)phosphanyloxy-3,4,5,6-tetramethylphenyl]-3,4,5,6-tetramethylphenyl] bis(2-methylphenyl) phosphite

[1-[2-bis(2-methylphenoxy)phosphanyloxy-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl] bis(2-methylphenyl) phosphite;[2-[2-bis(2-methylphenoxy)phosphanyloxy-3,4,5,6-tetramethylphenyl]-3,4,5,6-tetramethylphenyl] bis(2-methylphenyl) phosphite (PubChem CID 90856243) has the molecular formula C98H96O12P4 and a molecular weight of 1589.73 g/mol. Its IUPAC name is [1-[2-bis(2-methylphenoxy)phosphanyloxy-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl] bis(2-methylphenyl) phosphite;[2-[2-bis(2-methylphenoxy)phosphanyloxy-3,4,5,6-tetramethylphenyl]-3,4,5,6-tetramethylphenyl] bis(2-methylphenyl) phosphite.

Molecular Properties

Compound Name[1-[2-bis(2-methylphenoxy)phosphanyloxy-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl] bis(2-methylphenyl) phosphite;[2-[2-bis(2-methylphenoxy)phosphanyloxy-3,4,5,6-tetramethylphenyl]-3,4,5,6-tetramethylphenyl] bis(2-methylphenyl) phosphite
PubChem CID90856243
Molecular FormulaC98H96O12P4
Molecular Weight1589.73 g/mol
Exact Mass1588.59
IUPAC Name[1-[2-bis(2-methylphenoxy)phosphanyloxy-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl] bis(2-methylphenyl) phosphite;[2-[2-bis(2-methylphenoxy)phosphanyloxy-3,4,5,6-tetramethylphenyl]-3,4,5,6-tetramethylphenyl] bis(2-methylphenyl) phosphite
SMILESCc1ccccc1OP(Oc1ccccc1C)Oc1c(C)c(C)c(C)c(C)c1-c1c(C)c(C)c(C)c(C)c1OP(Oc1ccccc1C)Oc1ccccc1C.Cc1ccccc1OP(Oc1ccccc1C)Oc1c(C)cc2ccccc2c1-c1c(OP(Oc2ccccc2C)Oc2ccccc2C)c(C)cc2ccccc12
InChIInChI=1S/C50H44O6P2.C48H52O6P2/c1-33-19-7-15-27-43(33)51-57(52-44-28-16-8-20-34(44)2)55-49-37(5)31-39-23-11-13-25-41(39)47(49)48-42-26-14-12-24-40(42)32-38(6)50(48)56-58(53-45-29-17-9-21-35(45)3)54-46-30-18-10-22-36(46)4;1-29-21-13-17-25-41(29)49-55(50-42-26-18-14-22-30(42)2)53-47-39(11)35(7)33(5)37(9)45(47)46-38(10)34(6)36(8)40(12)48(46)54-56(51-43-27-19-15-23-31(43)3)52-44-28-20-16-24-32(44)4/h7-32H,1-6H3;13-28H,1-12H3
InChIKeyYTTADIJLBQOGGP-UHFFFAOYSA-N
XLogP29.62
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds26
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001589.73
LogP ≤ 529.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

bis([1-[2-bis(2-methylphenoxy)phosphanyloxy-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl] bis(2-methylphenyl) phosphite);[2-[2-bis(2-methylphenoxy)phosphanyloxy-3,4,5,6-tetramethylphenyl]-3,4,5,6-tetramethylphenyl] bis(2-methylphenyl) phosphite
CID 91340857
tris(2-methylphenyl) phosphite dichloride
CID 23333528
[2-[2-bis(2-methylphenoxy)phosphanyloxy-5,6-dimethyl-3-propan-2-ylphenyl]-3,4-dimethyl-6-propan-2-ylphenyl] bis(2-methylphenyl) phosphite
CID 59167149
[2-[2-bis(2-methylphenoxy)phosphanyloxy-5-ethyl-6-methyl-3-propan-2-ylphenyl]-4-ethyl-3-methyl-6-propan-2-ylphenyl] bis(2-methylphenyl) phosphite
CID 142247322
[2-[2-[hydroxy-(2-methylphenoxy)phosphanyl]oxy-3,5-dimethylphenyl]-4,6-dimethylphenyl] bis(2-methylphenyl) phosphite
CID 142925485
1-(3-iodo-2-methoxynaphthalen-1-yl)-2-methoxy-3-methylnaphthalene
CID 58780214
10,15-dimethyl-12,13-dithiapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene
CID 57370960
[1-(2-diphenoxyphosphanyl-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-yl]-diphenoxyphosphane
CID 10190388
tris(2,3,4,5-tetramethylphenyl) phosphite
CID 153324599
[2-[2-bis(2-methylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-methylphenyl) phosphite
CID 58931668
9,10-dimethylanthracene;bis(9-methylanthracene)
CID 159714317
9-methylanthracene;naphthalene
CID 142881908

Frequently Asked Questions

What is the IUPAC name of [1-[2-bis(2-methylphenoxy)phosphanyloxy-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl] bis(2-methylphenyl) phosphite;[2-[2-bis(2-methylphenoxy)phosphanyloxy-3,4,5,6-tetramethylphenyl]-3,4,5,6-tetramethylphenyl] bis(2-methylphenyl) phosphite?
The IUPAC name of [1-[2-bis(2-methylphenoxy)phosphanyloxy-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl] bis(2-methylphenyl) phosphite;[2-[2-bis(2-methylphenoxy)phosphanyloxy-3,4,5,6-tetramethylphenyl]-3,4,5,6-tetramethylphenyl] bis(2-methylphenyl) phosphite (CID 90856243) is [1-[2-bis(2-methylphenoxy)phosphanyloxy-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl] bis(2-methylphenyl) phosphite;[2-[2-bis(2-methylphenoxy)phosphanyloxy-3,4,5,6-tetramethylphenyl]-3,4,5,6-tetramethylphenyl] bis(2-methylphenyl) phosphite.
What is the SMILES notation for [1-[2-bis(2-methylphenoxy)phosphanyloxy-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl] bis(2-methylphenyl) phosphite;[2-[2-bis(2-methylphenoxy)phosphanyloxy-3,4,5,6-tetramethylphenyl]-3,4,5,6-tetramethylphenyl] bis(2-methylphenyl) phosphite?
The canonical SMILES for [1-[2-bis(2-methylphenoxy)phosphanyloxy-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl] bis(2-methylphenyl) phosphite;[2-[2-bis(2-methylphenoxy)phosphanyloxy-3,4,5,6-tetramethylphenyl]-3,4,5,6-tetramethylphenyl] bis(2-methylphenyl) phosphite is Cc1ccccc1OP(Oc1ccccc1C)Oc1c(C)c(C)c(C)c(C)c1-c1c(C)c(C)c(C)c(C)c1OP(Oc1ccccc1C)Oc1ccccc1C.Cc1ccccc1OP(Oc1ccccc1C)Oc1c(C)cc2ccccc2c1-c1c(OP(Oc2ccccc2C)Oc2ccccc2C)c(C)cc2ccccc12.
What is the InChIKey of [1-[2-bis(2-methylphenoxy)phosphanyloxy-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl] bis(2-methylphenyl) phosphite;[2-[2-bis(2-methylphenoxy)phosphanyloxy-3,4,5,6-tetramethylphenyl]-3,4,5,6-tetramethylphenyl] bis(2-methylphenyl) phosphite?
The InChIKey is YTTADIJLBQOGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H44O6P2.C48H52O6P2/c1-33-19-7-15-27-43(33)51-57(52-44-28-16-8-20-34(44)2)55-49-37(5)31-39-23-11-13-25-41(39)47(49)48-42-26-14-12-24-40(42)32-38(6)50(48)56-58(53-45-29-17-9-21-35(45)3)54-46-30-18-10-22-36(46)4;1-29-21-13-17-25-41(29)49-55(50-42-26-18-14-22-30(42)2)53-47-39(11)35(7)33(5)37(9)45(47)46-38(10)34(6)36(8)40(12)48(46)54-56(51-43-27-19-15-23-31(43)3)52-44-28-20-16-24-32(44)4/h7-32H,1-6H3;13-28H,1-12H3.
What are the key properties of [1-[2-bis(2-methylphenoxy)phosphanyloxy-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl] bis(2-methylphenyl) phosphite;[2-[2-bis(2-methylphenoxy)phosphanyloxy-3,4,5,6-tetramethylphenyl]-3,4,5,6-tetramethylphenyl] bis(2-methylphenyl) phosphite?
[1-[2-bis(2-methylphenoxy)phosphanyloxy-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl] bis(2-methylphenyl) phosphite;[2-[2-bis(2-methylphenoxy)phosphanyloxy-3,4,5,6-tetramethylphenyl]-3,4,5,6-tetramethylphenyl] bis(2-methylphenyl) phosphite has a molecular weight of 1589.73 g/mol, XLogP of 29.62, 26 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-bis(2-methylphenoxy)phosphanyloxy-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl] bis(2-methylphenyl) phosphite;[2-[2-bis(2-methylphenoxy)phosphanyloxy-3,4,5,6-tetramethylphenyl]-3,4,5,6-tetramethylphenyl] bis(2-methylphenyl) phosphite is sourced from PubChem (CID 90856243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).