[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

C107H115O18P3 — CID 159395431

IUPAC[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
SMILESCC(C)(C)OC(=O)Oc1ccccc1-c1ccccc1Op1oc2c(C(C)(C)C)cc(C(C)(C)C)cc2c2cc(C(C)(C)C)cc(C(C)(C)C)c2o1.CC(C)(C)OC(=O)Oc1ccccc1-c1ccccc1Op1oc2ccccc2c2ccccc2o1.Cc1cc(C)c2op(Oc3ccccc3-c3ccccc3OC(=O)OC(C)(C)C)oc3c(C)cc(C)cc3c2c1
InChIInChI=1S/C45H57O6P.C33H33O6P.C29H25O6P/c1-41(2,3)28-24-32-33-25-29(42(4,5)6)27-35(44(10,11)12)39(33)51-52(50-38(32)34(26-28)43(7,8)9)49-37-23-19-17-21-31(37)30-20-16-18-22-36(30)47-40(46)48-45(13,14)15;1-20-16-22(3)30-26(18-20)27-19-21(2)17-23(4)31(27)39-40(38-30)37-29-15-11-9-13-25(29)24-12-8-10-14-28(24)35-32(34)36-33(5,6)7;1-29(2,3)32-28(30)31-24-16-8-4-12-20(24)21-13-5-9-17-25(21)33-36-34-26-18-10-6-14-22(26)23-15-7-11-19-27(23)35-36/h16-27H,1-15H3;8-19H,1-7H3;4-19H,1-3H3
InChIKeyLMQNWLPAHJENRM-UHFFFAOYSA-N
MW1782.00 g/mol
LogP33.76
Rot. Bonds12

About [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

[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 (PubChem CID 159395431) has the molecular formula C107H115O18P3 and a molecular weight of 1782.00 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID159395431
Molecular FormulaC107H115O18P3
Molecular Weight1782.00 g/mol
Exact Mass1780.73
IUPAC Name[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
SMILESCC(C)(C)OC(=O)Oc1ccccc1-c1ccccc1Op1oc2c(C(C)(C)C)cc(C(C)(C)C)cc2c2cc(C(C)(C)C)cc(C(C)(C)C)c2o1.CC(C)(C)OC(=O)Oc1ccccc1-c1ccccc1Op1oc2ccccc2c2ccccc2o1.Cc1cc(C)c2op(Oc3ccccc3-c3ccccc3OC(=O)OC(C)(C)C)oc3c(C)cc(C)cc3c2c1
InChIInChI=1S/C45H57O6P.C33H33O6P.C29H25O6P/c1-41(2,3)28-24-32-33-25-29(42(4,5)6)27-35(44(10,11)12)39(33)51-52(50-38(32)34(26-28)43(7,8)9)49-37-23-19-17-21-31(37)30-20-16-18-22-36(30)47-40(46)48-45(13,14)15;1-20-16-22(3)30-26(18-20)27-19-21(2)17-23(4)31(27)39-40(38-30)37-29-15-11-9-13-25(29)24-12-8-10-14-28(24)35-32(34)36-33(5,6)7;1-29(2,3)32-28(30)31-24-16-8-4-12-20(24)21-13-5-9-17-25(21)33-36-34-26-18-10-6-14-22(26)23-15-7-11-19-27(23)35-36/h16-27H,1-15H3;8-19H,1-7H3;4-19H,1-3H3
InChIKeyLMQNWLPAHJENRM-UHFFFAOYSA-N
XLogP33.76
TPSA213.12 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001782.00
LogP ≤ 533.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

Analyze [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 with MolForge

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Related Compounds

tert-butyl [2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenyl] carbonate
CID 118530076
6-[2-tert-butyl-6-(3-tert-butyl-2,5-dimethoxyphenyl)-4-methoxyphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-methoxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine;2,4,8,10-tetratert-butyl-6-[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-methoxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine
CID 158188032
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
bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite;tert-butyl [2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] carbonate;tert-butyl [2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4-methoxyphenyl] carbonate;tris(2,4-ditert-butylphenyl) phosphite
CID 161428389
6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3-tert-butyl-5-methoxyphenyl)-6-tert-butyl-4-methylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;6-[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4-methoxyphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;2-[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]phenyl]-4-methoxyphenoxy]-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane;4,8-ditert-butyl-6-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepine
CID 161086352
tert-butyl [2-[2-(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)-3,5-dimethylphenyl]-4,6-dimethylphenyl] carbonate
CID 118530096
tert-butyl 2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-5-methylbenzoate
CID 142046060
6-(2-tert-butyl-4-methylphenoxy)benzo[d][1,3,2]benzodioxaphosphepine
CID 14637270
2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(4,8-ditert-butyl-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenol
CID 139721800
tert-butyl [2-tert-butyl-6-(3-tert-butyl-2-dichlorophosphanyloxy-5-methylphenyl)-4-methylphenyl] carbonate;tert-butyl [2-tert-butyl-6-[3-tert-butyl-5-methyl-2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4-methylphenyl] carbonate;2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)phenol;N,N-diethylethanamine
CID 159442749
bis(acetonitrile);4,8-ditert-butyl-6-[2-[2-(4,8-ditert-butyl-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenoxy]-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine
CID 154728144
6-(2,6-diphenylphenoxy)-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine
CID 129105621

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CC(C)(C)OC(=O)Oc1ccccc1-c1ccccc1Op1oc2c(C(C)(C)C)cc(C(C)(C)C)cc2c2cc(C(C)(C)C)cc(C(C)(C)C)c2o1.CC(C)(C)OC(=O)Oc1ccccc1-c1ccccc1Op1oc2ccccc2c2ccccc2o1.Cc1cc(C)c2op(Oc3ccccc3-c3ccccc3OC(=O)OC(C)(C)C)oc3c(C)cc(C)cc3c2c1.
What is the InChIKey of [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?
The InChIKey is LMQNWLPAHJENRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H57O6P.C33H33O6P.C29H25O6P/c1-41(2,3)28-24-32-33-25-29(42(4,5)6)27-35(44(10,11)12)39(33)51-52(50-38(32)34(26-28)43(7,8)9)49-37-23-19-17-21-31(37)30-20-16-18-22-36(30)47-40(46)48-45(13,14)15;1-20-16-22(3)30-26(18-20)27-19-21(2)17-23(4)31(27)39-40(38-30)37-29-15-11-9-13-25(29)24-12-8-10-14-28(24)35-32(34)36-33(5,6)7;1-29(2,3)32-28(30)31-24-16-8-4-12-20(24)21-13-5-9-17-25(21)33-36-34-26-18-10-6-14-22(26)23-15-7-11-19-27(23)35-36/h16-27H,1-15H3;8-19H,1-7H3;4-19H,1-3H3.
What are the key properties of [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?
[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 has a molecular weight of 1782.00 g/mol, XLogP of 33.76, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 159395431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).