[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

C106H116O18P4 — CID 158570640

IUPAC[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
SMILESCc1cc(C)c(OP(Oc2ccccc2C2OCCCO2)Oc2ccccc2C2OCCCO2)c(-c2c(C)c(C)cc(C)c2OP(Oc2ccccc2C2OCCCO2)Oc2ccccc2C2OCCCO2)c1C.Cc1ccc(C(C)C)c(OP(Oc2c(C)cc(C)cc2-c2cc(C)cc(C)c2OP(Oc2cc(C)ccc2C(C)C)c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C58H64O14P2.C48H52O4P2/c1-37-35-39(3)53(71-73(67-47-23-11-7-19-43(47)55-59-27-15-28-60-55)68-48-24-12-8-20-44(48)56-61-29-16-30-62-56)51(41(37)5)52-42(6)38(2)36-40(4)54(52)72-74(69-49-25-13-9-21-45(49)57-63-31-17-32-64-57)70-50-26-14-10-22-46(50)58-65-33-18-34-66-58;1-31(2)41-23-21-33(5)29-45(41)49-53(39-17-13-11-14-18-39)51-47-37(9)25-35(7)27-43(47)44-28-36(8)26-38(10)48(44)52-54(40-19-15-12-16-20-40)50-46-30-34(6)22-24-42(46)32(3)4/h7-14,19-26,35-36,55-58H,15-18,27-34H2,1-6H3;11-32H,1-10H3
InChIKeyHSANQWXOXNZDSI-UHFFFAOYSA-N
MW1801.97 g/mol
LogP28.11
Rot. Bonds30

About [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

[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 (PubChem CID 158570640) has the molecular formula C106H116O18P4 and a molecular weight of 1801.97 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID158570640
Molecular FormulaC106H116O18P4
Molecular Weight1801.97 g/mol
Exact Mass1800.71
IUPAC Name[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
SMILESCc1cc(C)c(OP(Oc2ccccc2C2OCCCO2)Oc2ccccc2C2OCCCO2)c(-c2c(C)c(C)cc(C)c2OP(Oc2ccccc2C2OCCCO2)Oc2ccccc2C2OCCCO2)c1C.Cc1ccc(C(C)C)c(OP(Oc2c(C)cc(C)cc2-c2cc(C)cc(C)c2OP(Oc2cc(C)ccc2C(C)C)c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C58H64O14P2.C48H52O4P2/c1-37-35-39(3)53(71-73(67-47-23-11-7-19-43(47)55-59-27-15-28-60-55)68-48-24-12-8-20-44(48)56-61-29-16-30-62-56)51(41(37)5)52-42(6)38(2)36-40(4)54(52)72-74(69-49-25-13-9-21-45(49)57-63-31-17-32-64-57)70-50-26-14-10-22-46(50)58-65-33-18-34-66-58;1-31(2)41-23-21-33(5)29-45(41)49-53(39-17-13-11-14-18-39)51-47-37(9)25-35(7)27-43(47)44-28-36(8)26-38(10)48(44)52-54(40-19-15-12-16-20-40)50-46-30-34(6)22-24-42(46)32(3)4/h7-14,19-26,35-36,55-58H,15-18,27-34H2,1-6H3;11-32H,1-10H3
InChIKeyHSANQWXOXNZDSI-UHFFFAOYSA-N
XLogP28.11
TPSA166.14 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds30
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001801.97
LogP ≤ 528.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze [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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[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
[8-bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxy-9,10-dioxoanthracen-1-yl] bis(5-methyl-2-propan-2-ylphenyl) phosphite
CID 58931576
2,4-dimethyl-1-propan-2-ylbenzene;[8-[methyl-(5-methyl-2-propan-2-ylphenoxy)phosphanyl]oxy-9,10-dioxoanthracen-1-yl] bis(5-methyl-2-propan-2-ylphenyl) phosphite
CID 142850374
[2-[2-bis(2,4-dimethylphenoxy)phosphanyloxy-5,6-dimethyl-3-propan-2-ylphenyl]-3,4-dimethyl-6-propan-2-ylphenyl]methyl bis(2,4-dimethylphenyl) phosphite
CID 139383128
[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
[2-[bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxymethyl]phenyl] (5-ethyl-2-propan-2-ylphenyl) (5-methyl-2-propan-2-ylphenyl) phosphite
CID 142850621
3-[4,8-bis(1,3-dioxolan-2-yl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-2-[[4,8-bis(1,3-dioxolan-2-yl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxymethyl]pyridine;[2-[bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxymethyl]-3-pyridinyl] bis(5-methyl-2-propan-2-ylphenyl) phosphite;3-(13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxy)-2-(13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxymethyl)pyridine;3-[(1,3,5,7,9-pentamethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]-2-[(1,3,5,7,9-pentamethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxymethyl]pyridine
CID 159524795
[1-[2-bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxynaphthalen-1-yl]naphthalen-2-yl] (2-ethyl-5-methylcyclohexa-1,3-dien-1-yl) (5-methyl-2-propan-2-ylphenyl) phosphite
CID 89246234
[2-(1,3-dioxan-2-yl)phenoxy]-[1-[2-[2-(1,3-dioxan-2-yl)phenoxy]phosphanyloxy-3-methylnaphthalen-1-yl]naphthalen-2-yl]oxyphosphane
CID 135084859
9-(5-methyl-2-propan-2-ylphenoxy)-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 23740625
1,8-bis(benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy)anthracene-9,10-dione;1,8-bis(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)anthracene-9,10-dione;[8-bis[2-(1,3-dioxolan-2-yl)phenoxy]phosphanyloxy-9,10-dioxoanthracen-1-yl] bis[2-(1,3-dioxolan-2-yl)phenyl] phosphite;[5-bis(2-methylphenoxy)phosphanyloxy-9H-xanthen-4-yl] bis(2-methylphenyl) phosphite;[8-bis(2-propan-2-ylphenoxy)phosphanyloxy-9,10-dioxoanthracen-1-yl] (2-methylphenyl) (2-propan-2-ylphenyl) phosphite
CID 160693252
tris(2,3,5-trimethylphenyl) phosphite
CID 627271

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is Cc1cc(C)c(OP(Oc2ccccc2C2OCCCO2)Oc2ccccc2C2OCCCO2)c(-c2c(C)c(C)cc(C)c2OP(Oc2ccccc2C2OCCCO2)Oc2ccccc2C2OCCCO2)c1C.Cc1ccc(C(C)C)c(OP(Oc2c(C)cc(C)cc2-c2cc(C)cc(C)c2OP(Oc2cc(C)ccc2C(C)C)c2ccccc2)c2ccccc2)c1.
What is the InChIKey of [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?
The InChIKey is HSANQWXOXNZDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H64O14P2.C48H52O4P2/c1-37-35-39(3)53(71-73(67-47-23-11-7-19-43(47)55-59-27-15-28-60-55)68-48-24-12-8-20-44(48)56-61-29-16-30-62-56)51(41(37)5)52-42(6)38(2)36-40(4)54(52)72-74(69-49-25-13-9-21-45(49)57-63-31-17-32-64-57)70-50-26-14-10-22-46(50)58-65-33-18-34-66-58;1-31(2)41-23-21-33(5)29-45(41)49-53(39-17-13-11-14-18-39)51-47-37(9)25-35(7)27-43(47)44-28-36(8)26-38(10)48(44)52-54(40-19-15-12-16-20-40)50-46-30-34(6)22-24-42(46)32(3)4/h7-14,19-26,35-36,55-58H,15-18,27-34H2,1-6H3;11-32H,1-10H3.
What are the key properties of [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?
[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 has a molecular weight of 1801.97 g/mol, XLogP of 28.11, 30 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 158570640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).