[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxyphenyl)phenoxy]-diphenylphosphane;[2-(2-diphenylphosphanyloxy-3,5-dimethylphenyl)-4,6-dimethylphenyl] bis(2-methylphenyl) phosphite;[2-(2-diphenylphosphanyloxy-3,4,6-trimethylphenyl)-3,5,6-trimethylphenyl] bis(2-methylphenyl) phosphite

C122H110O12P6 — CID 159576556

IUPAC[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxyphenyl)phenoxy]-diphenylphosphane;[2-(2-diphenylphosphanyloxy-3,5-dimethylphenyl)-4,6-dimethylphenyl] bis(2-methylphenyl) phosphite;[2-(2-diphenylphosphanyloxy-3,4,6-trimethylphenyl)-3,5,6-trimethylphenyl] bis(2-methylphenyl) phosphite
SMILESCc1cc(C)c(OP(Oc2ccccc2C)Oc2ccccc2C)c(-c2cc(C)cc(C)c2OP(c2ccccc2)c2ccccc2)c1.Cc1ccccc1OP(Oc1ccccc1C)Oc1c(C)c(C)cc(C)c1-c1c(C)cc(C)c(C)c1OP(c1ccccc1)c1ccccc1.c1ccc(P(Oc2ccccc2-c2ccccc2Op2oc3ccccc3c3ccccc3o2)c2ccccc2)cc1
InChIInChI=1S/C44H44O4P2.C42H40O4P2.C36H26O4P2/c1-29-19-15-17-25-39(29)45-50(46-40-26-18-16-20-30(40)2)48-44-36(8)32(4)28-34(6)42(44)41-33(5)27-31(3)35(7)43(41)47-49(37-21-11-9-12-22-37)38-23-13-10-14-24-38;1-29-25-33(5)41(45-47(35-19-9-7-10-20-35)36-21-11-8-12-22-36)37(27-29)38-28-30(2)26-34(6)42(38)46-48(43-39-23-15-13-17-31(39)3)44-40-24-16-14-18-32(40)4;1-3-15-27(16-4-1)41(28-17-5-2-6-18-28)37-33-23-11-7-19-29(33)30-20-8-12-24-34(30)38-42-39-35-25-13-9-21-31(35)32-22-10-14-26-36(32)40-42/h9-28H,1-8H3;7-28H,1-6H3;1-26H
InChIKeyMIMBWNOYSHOFMQ-UHFFFAOYSA-N
MW1954.05 g/mol
LogP33.63
Rot. Bonds29

About [2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxyphenyl)phenoxy]-diphenylphosphane;[2-(2-diphenylphosphanyloxy-3,5-dimethylphenyl)-4,6-dimethylphenyl] bis(2-methylphenyl) phosphite;[2-(2-diphenylphosphanyloxy-3,4,6-trimethylphenyl)-3,5,6-trimethylphenyl] bis(2-methylphenyl) phosphite

[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxyphenyl)phenoxy]-diphenylphosphane;[2-(2-diphenylphosphanyloxy-3,5-dimethylphenyl)-4,6-dimethylphenyl] bis(2-methylphenyl) phosphite;[2-(2-diphenylphosphanyloxy-3,4,6-trimethylphenyl)-3,5,6-trimethylphenyl] bis(2-methylphenyl) phosphite (PubChem CID 159576556) has the molecular formula C122H110O12P6 and a molecular weight of 1954.05 g/mol. Its IUPAC name is [2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxyphenyl)phenoxy]-diphenylphosphane;[2-(2-diphenylphosphanyloxy-3,5-dimethylphenyl)-4,6-dimethylphenyl] bis(2-methylphenyl) phosphite;[2-(2-diphenylphosphanyloxy-3,4,6-trimethylphenyl)-3,5,6-trimethylphenyl] bis(2-methylphenyl) phosphite.

Molecular Properties

Compound Name[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxyphenyl)phenoxy]-diphenylphosphane;[2-(2-diphenylphosphanyloxy-3,5-dimethylphenyl)-4,6-dimethylphenyl] bis(2-methylphenyl) phosphite;[2-(2-diphenylphosphanyloxy-3,4,6-trimethylphenyl)-3,5,6-trimethylphenyl] bis(2-methylphenyl) phosphite
PubChem CID159576556
Molecular FormulaC122H110O12P6
Molecular Weight1954.05 g/mol
Exact Mass1952.64
IUPAC Name[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxyphenyl)phenoxy]-diphenylphosphane;[2-(2-diphenylphosphanyloxy-3,5-dimethylphenyl)-4,6-dimethylphenyl] bis(2-methylphenyl) phosphite;[2-(2-diphenylphosphanyloxy-3,4,6-trimethylphenyl)-3,5,6-trimethylphenyl] bis(2-methylphenyl) phosphite
SMILESCc1cc(C)c(OP(Oc2ccccc2C)Oc2ccccc2C)c(-c2cc(C)cc(C)c2OP(c2ccccc2)c2ccccc2)c1.Cc1ccccc1OP(Oc1ccccc1C)Oc1c(C)c(C)cc(C)c1-c1c(C)cc(C)c(C)c1OP(c1ccccc1)c1ccccc1.c1ccc(P(Oc2ccccc2-c2ccccc2Op2oc3ccccc3c3ccccc3o2)c2ccccc2)cc1
InChIInChI=1S/C44H44O4P2.C42H40O4P2.C36H26O4P2/c1-29-19-15-17-25-39(29)45-50(46-40-26-18-16-20-30(40)2)48-44-36(8)32(4)28-34(6)42(44)41-33(5)27-31(3)35(7)43(41)47-49(37-21-11-9-12-22-37)38-23-13-10-14-24-38;1-29-25-33(5)41(45-47(35-19-9-7-10-20-35)36-21-11-8-12-22-36)37(27-29)38-28-30(2)26-34(6)42(38)46-48(43-39-23-15-13-17-31(39)3)44-40-24-16-14-18-32(40)4;1-3-15-27(16-4-1)41(28-17-5-2-6-18-28)37-33-23-11-7-19-29(33)30-20-8-12-24-34(30)38-42-39-35-25-13-9-21-31(35)32-22-10-14-26-36(32)40-42/h9-28H,1-8H3;7-28H,1-6H3;1-26H
InChIKeyMIMBWNOYSHOFMQ-UHFFFAOYSA-N
XLogP33.63
TPSA118.58 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds29
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001954.05
LogP ≤ 533.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze [2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxyphenyl)phenoxy]-diphenylphosphane;[2-(2-diphenylphosphanyloxy-3,5-dimethylphenyl)-4,6-dimethylphenyl] bis(2-methylphenyl) phosphite;[2-(2-diphenylphosphanyloxy-3,4,6-trimethylphenyl)-3,5,6-trimethylphenyl] bis(2-methylphenyl) phosphite with MolForge

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Related Compounds

[2-[2-[bis(2-methylphenoxy)phosphanylmethyl]-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-diphenylphosphane
CID 70947694
[2-[2-[hydroxy-(2-methylphenoxy)phosphanyl]oxy-3,5-dimethylphenyl]-4,6-dimethylphenyl] bis(2-methylphenyl) phosphite
CID 142925485
6-[2-(3-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine
CID 162782238
6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-6-bromo-3,5-dimethylphenyl)-3-bromo-4,6-dimethylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine
CID 59931122
[2-[2-bis[2-(1,3-dioxan-2-yl)phenoxy]phosphanyloxy-3,5,6-trimethylphenyl]-3,4,6-trimethylphenyl] bis[2-(1,3-dioxan-2-yl)phenyl] phosphite;[2-[3,5-dimethyl-2-[(5-methyl-2-propan-2-ylphenoxy)-phenylphosphanyl]oxyphenyl]-4,6-dimethylphenoxy]-(5-methyl-2-propan-2-ylphenoxy)-phenylphosphane
CID 158570640
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
6-(2-tert-butyl-4-methylphenoxy)benzo[d][1,3,2]benzodioxaphosphepine
CID 14637270
1,8-bis(benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy)anthracene-9,10-dione
CID 58931655
6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-5-methoxy-3-methylphenyl)-4-methoxy-6-methylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;(2,4-dimethylphenoxy)-[2-(2,4-dimethylphenoxy)phosphanyloxyethoxy]phosphane
CID 91457715
[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-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxyphenyl)phenyl] tert-butyl carbonate;tert-butyl [2-[2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenyl] carbonate;tert-butyl [2-[2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenyl] carbonate
CID 159395431
4,8-ditert-butyl-6-[2-[2-(4,8-ditert-butyl-1,2,10-trimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenoxy]-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine
CID 102435583

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxyphenyl)phenoxy]-diphenylphosphane;[2-(2-diphenylphosphanyloxy-3,5-dimethylphenyl)-4,6-dimethylphenyl] bis(2-methylphenyl) phosphite;[2-(2-diphenylphosphanyloxy-3,4,6-trimethylphenyl)-3,5,6-trimethylphenyl] bis(2-methylphenyl) phosphite?
The IUPAC name of [2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxyphenyl)phenoxy]-diphenylphosphane;[2-(2-diphenylphosphanyloxy-3,5-dimethylphenyl)-4,6-dimethylphenyl] bis(2-methylphenyl) phosphite;[2-(2-diphenylphosphanyloxy-3,4,6-trimethylphenyl)-3,5,6-trimethylphenyl] bis(2-methylphenyl) phosphite (CID 159576556) is [2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxyphenyl)phenoxy]-diphenylphosphane;[2-(2-diphenylphosphanyloxy-3,5-dimethylphenyl)-4,6-dimethylphenyl] bis(2-methylphenyl) phosphite;[2-(2-diphenylphosphanyloxy-3,4,6-trimethylphenyl)-3,5,6-trimethylphenyl] bis(2-methylphenyl) phosphite.
What is the SMILES notation for [2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxyphenyl)phenoxy]-diphenylphosphane;[2-(2-diphenylphosphanyloxy-3,5-dimethylphenyl)-4,6-dimethylphenyl] bis(2-methylphenyl) phosphite;[2-(2-diphenylphosphanyloxy-3,4,6-trimethylphenyl)-3,5,6-trimethylphenyl] bis(2-methylphenyl) phosphite?
The canonical SMILES for [2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxyphenyl)phenoxy]-diphenylphosphane;[2-(2-diphenylphosphanyloxy-3,5-dimethylphenyl)-4,6-dimethylphenyl] bis(2-methylphenyl) phosphite;[2-(2-diphenylphosphanyloxy-3,4,6-trimethylphenyl)-3,5,6-trimethylphenyl] bis(2-methylphenyl) phosphite is Cc1cc(C)c(OP(Oc2ccccc2C)Oc2ccccc2C)c(-c2cc(C)cc(C)c2OP(c2ccccc2)c2ccccc2)c1.Cc1ccccc1OP(Oc1ccccc1C)Oc1c(C)c(C)cc(C)c1-c1c(C)cc(C)c(C)c1OP(c1ccccc1)c1ccccc1.c1ccc(P(Oc2ccccc2-c2ccccc2Op2oc3ccccc3c3ccccc3o2)c2ccccc2)cc1.
What is the InChIKey of [2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxyphenyl)phenoxy]-diphenylphosphane;[2-(2-diphenylphosphanyloxy-3,5-dimethylphenyl)-4,6-dimethylphenyl] bis(2-methylphenyl) phosphite;[2-(2-diphenylphosphanyloxy-3,4,6-trimethylphenyl)-3,5,6-trimethylphenyl] bis(2-methylphenyl) phosphite?
The InChIKey is MIMBWNOYSHOFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H44O4P2.C42H40O4P2.C36H26O4P2/c1-29-19-15-17-25-39(29)45-50(46-40-26-18-16-20-30(40)2)48-44-36(8)32(4)28-34(6)42(44)41-33(5)27-31(3)35(7)43(41)47-49(37-21-11-9-12-22-37)38-23-13-10-14-24-38;1-29-25-33(5)41(45-47(35-19-9-7-10-20-35)36-21-11-8-12-22-36)37(27-29)38-28-30(2)26-34(6)42(38)46-48(43-39-23-15-13-17-31(39)3)44-40-24-16-14-18-32(40)4;1-3-15-27(16-4-1)41(28-17-5-2-6-18-28)37-33-23-11-7-19-29(33)30-20-8-12-24-34(30)38-42-39-35-25-13-9-21-31(35)32-22-10-14-26-36(32)40-42/h9-28H,1-8H3;7-28H,1-6H3;1-26H.
What are the key properties of [2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxyphenyl)phenoxy]-diphenylphosphane;[2-(2-diphenylphosphanyloxy-3,5-dimethylphenyl)-4,6-dimethylphenyl] bis(2-methylphenyl) phosphite;[2-(2-diphenylphosphanyloxy-3,4,6-trimethylphenyl)-3,5,6-trimethylphenyl] bis(2-methylphenyl) phosphite?
[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxyphenyl)phenoxy]-diphenylphosphane;[2-(2-diphenylphosphanyloxy-3,5-dimethylphenyl)-4,6-dimethylphenyl] bis(2-methylphenyl) phosphite;[2-(2-diphenylphosphanyloxy-3,4,6-trimethylphenyl)-3,5,6-trimethylphenyl] bis(2-methylphenyl) phosphite has a molecular weight of 1954.05 g/mol, XLogP of 33.63, 29 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxyphenyl)phenoxy]-diphenylphosphane;[2-(2-diphenylphosphanyloxy-3,5-dimethylphenyl)-4,6-dimethylphenyl] bis(2-methylphenyl) phosphite;[2-(2-diphenylphosphanyloxy-3,4,6-trimethylphenyl)-3,5,6-trimethylphenyl] bis(2-methylphenyl) phosphite is sourced from PubChem (CID 159576556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).