2,4,8,10-tetratert-butyl-6-(2,6-ditert-butyl-4-methylphenoxy)benzo[d][1,3,2]benzodioxaphosphepine;2,4,8,10-tetratert-butyl-6-(2,4-ditert-butylphenoxy)benzo[d][1,3,2]benzodioxaphosphepine;1,3,7,9-tetratert-butyl-11-(2,4-ditert-butylphenoxy)-5H-benzo[d][1,3,2]benzodioxaphosphocine;1,3,7,9-tetratert-butyl-11-(2-ethylhexoxy)-5H-benzo[d][1,3,2]benzodioxaphosphocine

C165H246O12P4 — CID 160875204

IUPAC2,4,8,10-tetratert-butyl-6-(2,6-ditert-butyl-4-methylphenoxy)benzo[d][1,3,2]benzodioxaphosphepine;2,4,8,10-tetratert-butyl-6-(2,4-ditert-butylphenoxy)benzo[d][1,3,2]benzodioxaphosphepine;1,3,7,9-tetratert-butyl-11-(2,4-ditert-butylphenoxy)-5H-benzo[d][1,3,2]benzodioxaphosphocine;1,3,7,9-tetratert-butyl-11-(2-ethylhexoxy)-5H-benzo[d][1,3,2]benzodioxaphosphocine
SMILESCC(C)(C)c1ccc(OP2Oc3c(cc(C(C)(C)C)cc3C(C)(C)C)Cc3cc(C(C)(C)C)cc(C(C)(C)C)c3O2)c(C(C)(C)C)c1.CC(C)(C)c1ccc(Op2oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c3cc(C(C)(C)C)cc(C(C)(C)C)c3o2)c(C(C)(C)C)c1.CCCCC(CC)COP1Oc2c(cc(C(C)(C)C)cc2C(C)(C)C)Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O1.Cc1cc(C(C)(C)C)c(Op2oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c3cc(C(C)(C)C)cc(C(C)(C)C)c3o2)c(C(C)(C)C)c1
InChIInChI=1S/2C43H63O3P.C42H61O3P.C37H59O3P/c1-26-20-31(40(8,9)10)37(32(21-26)41(11,12)13)46-47-44-35-29(22-27(38(2,3)4)24-33(35)42(14,15)16)30-23-28(39(5,6)7)25-34(36(30)45-47)43(17,18)19;1-38(2,3)29-19-20-35(32(24-29)41(10,11)12)44-47-45-36-27(22-30(39(4,5)6)25-33(36)42(13,14)15)21-28-23-31(40(7,8)9)26-34(37(28)46-47)43(16,17)18;1-37(2,3)26-19-20-34(31(23-26)40(10,11)12)43-46-44-35-29(21-27(38(4,5)6)24-32(35)41(13,14)15)30-22-28(39(7,8)9)25-33(36(30)45-46)42(16,17)18;1-15-17-18-25(16-2)24-38-41-39-32-26(20-28(34(3,4)5)22-30(32)36(9,10)11)19-27-21-29(35(6,7)8)23-31(33(27)40-41)37(12,13)14/h20-25H,1-19H3;19-20,22-26H,21H2,1-18H3;19-25H,1-18H3;20-23,25H,15-19,24H2,1-14H3
InChIKeySMHLDNNBXJOCOG-UHFFFAOYSA-N
MW2545.67 g/mol
LogP52.98
Rot. Bonds13

About 2,4,8,10-tetratert-butyl-6-(2,6-ditert-butyl-4-methylphenoxy)benzo[d][1,3,2]benzodioxaphosphepine;2,4,8,10-tetratert-butyl-6-(2,4-ditert-butylphenoxy)benzo[d][1,3,2]benzodioxaphosphepine;1,3,7,9-tetratert-butyl-11-(2,4-ditert-butylphenoxy)-5H-benzo[d][1,3,2]benzodioxaphosphocine;1,3,7,9-tetratert-butyl-11-(2-ethylhexoxy)-5H-benzo[d][1,3,2]benzodioxaphosphocine

2,4,8,10-tetratert-butyl-6-(2,6-ditert-butyl-4-methylphenoxy)benzo[d][1,3,2]benzodioxaphosphepine;2,4,8,10-tetratert-butyl-6-(2,4-ditert-butylphenoxy)benzo[d][1,3,2]benzodioxaphosphepine;1,3,7,9-tetratert-butyl-11-(2,4-ditert-butylphenoxy)-5H-benzo[d][1,3,2]benzodioxaphosphocine;1,3,7,9-tetratert-butyl-11-(2-ethylhexoxy)-5H-benzo[d][1,3,2]benzodioxaphosphocine (PubChem CID 160875204) has the molecular formula C165H246O12P4 and a molecular weight of 2545.67 g/mol. Its IUPAC name is 2,4,8,10-tetratert-butyl-6-(2,6-ditert-butyl-4-methylphenoxy)benzo[d][1,3,2]benzodioxaphosphepine;2,4,8,10-tetratert-butyl-6-(2,4-ditert-butylphenoxy)benzo[d][1,3,2]benzodioxaphosphepine;1,3,7,9-tetratert-butyl-11-(2,4-ditert-butylphenoxy)-5H-benzo[d][1,3,2]benzodioxaphosphocine;1,3,7,9-tetratert-butyl-11-(2-ethylhexoxy)-5H-benzo[d][1,3,2]benzodioxaphosphocine.

Molecular Properties

Compound Name2,4,8,10-tetratert-butyl-6-(2,6-ditert-butyl-4-methylphenoxy)benzo[d][1,3,2]benzodioxaphosphepine;2,4,8,10-tetratert-butyl-6-(2,4-ditert-butylphenoxy)benzo[d][1,3,2]benzodioxaphosphepine;1,3,7,9-tetratert-butyl-11-(2,4-ditert-butylphenoxy)-5H-benzo[d][1,3,2]benzodioxaphosphocine;1,3,7,9-tetratert-butyl-11-(2-ethylhexoxy)-5H-benzo[d][1,3,2]benzodioxaphosphocine
PubChem CID160875204
Molecular FormulaC165H246O12P4
Molecular Weight2545.67 g/mol
Exact Mass2543.76
IUPAC Name2,4,8,10-tetratert-butyl-6-(2,6-ditert-butyl-4-methylphenoxy)benzo[d][1,3,2]benzodioxaphosphepine;2,4,8,10-tetratert-butyl-6-(2,4-ditert-butylphenoxy)benzo[d][1,3,2]benzodioxaphosphepine;1,3,7,9-tetratert-butyl-11-(2,4-ditert-butylphenoxy)-5H-benzo[d][1,3,2]benzodioxaphosphocine;1,3,7,9-tetratert-butyl-11-(2-ethylhexoxy)-5H-benzo[d][1,3,2]benzodioxaphosphocine
SMILESCC(C)(C)c1ccc(OP2Oc3c(cc(C(C)(C)C)cc3C(C)(C)C)Cc3cc(C(C)(C)C)cc(C(C)(C)C)c3O2)c(C(C)(C)C)c1.CC(C)(C)c1ccc(Op2oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c3cc(C(C)(C)C)cc(C(C)(C)C)c3o2)c(C(C)(C)C)c1.CCCCC(CC)COP1Oc2c(cc(C(C)(C)C)cc2C(C)(C)C)Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O1.Cc1cc(C(C)(C)C)c(Op2oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c3cc(C(C)(C)C)cc(C(C)(C)C)c3o2)c(C(C)(C)C)c1
InChIInChI=1S/2C43H63O3P.C42H61O3P.C37H59O3P/c1-26-20-31(40(8,9)10)37(32(21-26)41(11,12)13)46-47-44-35-29(22-27(38(2,3)4)24-33(35)42(14,15)16)30-23-28(39(5,6)7)25-34(36(30)45-47)43(17,18)19;1-38(2,3)29-19-20-35(32(24-29)41(10,11)12)44-47-45-36-27(22-30(39(4,5)6)25-33(36)42(13,14)15)21-28-23-31(40(7,8)9)26-34(37(28)46-47)43(16,17)18;1-37(2,3)26-19-20-34(31(23-26)40(10,11)12)43-46-44-35-29(21-27(38(4,5)6)24-32(35)41(13,14)15)30-22-28(39(7,8)9)25-33(36(30)45-46)42(16,17)18;1-15-17-18-25(16-2)24-38-41-39-32-26(20-28(34(3,4)5)22-30(32)36(9,10)11)19-27-21-29(35(6,7)8)23-31(33(27)40-41)37(12,13)14/h20-25H,1-19H3;19-20,22-26H,21H2,1-18H3;19-25H,1-18H3;20-23,25H,15-19,24H2,1-14H3
InChIKeySMHLDNNBXJOCOG-UHFFFAOYSA-N
XLogP52.98
TPSA126.40 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms181
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002545.67
LogP ≤ 552.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2,4,8,10-tetratert-butyl-6-(2,6-ditert-butyl-4-methylphenoxy)benzo[d][1,3,2]benzodioxaphosphepine;2,4,8,10-tetratert-butyl-6-(2,4-ditert-butylphenoxy)benzo[d][1,3,2]benzodioxaphosphepine;1,3,7,9-tetratert-butyl-11-(2,4-ditert-butylphenoxy)-5H-benzo[d][1,3,2]benzodioxaphosphocine;1,3,7,9-tetratert-butyl-11-(2-ethylhexoxy)-5H-benzo[d][1,3,2]benzodioxaphosphocine 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

1,3,7,9-tetratert-butyl-11-nonoxy-5H-benzo[d][1,3,2]benzodioxaphosphocine
CID 18358505
1,9-ditert-butyl-3,7-dimethyl-11-octadecoxy-5H-benzo[d][1,3,2]benzodioxaphosphocine
CID 18358497
2,4-ditert-butyl-6-[[3,5-ditert-butyl-2-[(1,9-ditert-butyl-3,7-dimethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]phenyl]methyl]phenol
CID 139724522
5-butyl-2-[2,6-ditert-butyl-4-(2-methylpropyl)phenoxy]-5-ethyl-1,3,2-dioxaphosphinane;3-[2-tert-butyl-4-(2-methylpropyl)phenoxy]-9-[4-tert-butyl-2-(2-methylpropyl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;2-[4,8-ditert-butyl-2,10-bis(2-methylpropyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxyethanamine;4,8-ditert-butyl-6-(2-ethylhexoxy)-2,10-bis(2-methylpropyl)benzo[d][1,3,2]benzodioxaphosphepine;1,9-ditert-butyl-11-fluoro-5-methyl-3,7-bis(2-methylpropyl)-5H-benzo[d][1,3,2]benzodioxaphosphocine;(2,4-ditert-butyl-6-methylphenoxy)-ethoxyphosphane;3-(2,6-ditert-butyl-4-methylphenoxy)-9-[4-methyl-2,6-bis(2-methylpropyl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;(2,4-ditert-butylphenoxy)-[4-[4-(2,4-ditert-butylphenoxy)phosphanylphenyl]phenyl]phosphane;3,9-dioctadecoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
CID 159074626
1,3,7,9-tetratert-butyl-11-(2,2,2-trifluoroethoxy)-5H-benzo[d][1,3,2]benzodioxaphosphocine
CID 15181508
2,4-ditert-butyl-6-[1-[3,5-ditert-butyl-2-(4,8-ditert-butyl-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]ethyl]phenol
CID 139721792
3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;5-butyl-5-ethyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-dioxaphosphinane;1,3,9-tritert-butyl-11-methoxy-7-(2-methylpropyl)-5H-benzo[d][1,3,2]benzodioxaphosphocine
CID 160573857
octane;1,3,7,9-tetratert-butyl-11-hydroxy-5H-benzo[d][1,3,2]benzodioxaphosphocine
CID 162248631
2,4,8,10-tetratert-butyl-6-[2,7,9,9-tetramethyl-5-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyxanthen-4-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine
CID 11366860
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
4,8-ditert-butyl-6-[4-(4,8-ditert-butyl-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenoxy]-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepine
CID 21130889
2,6-ditert-butyl-4-[3-[(1,3,7,9-tetratert-butyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]propyl]phenol
CID 87350260

Frequently Asked Questions

What is the IUPAC name of 2,4,8,10-tetratert-butyl-6-(2,6-ditert-butyl-4-methylphenoxy)benzo[d][1,3,2]benzodioxaphosphepine;2,4,8,10-tetratert-butyl-6-(2,4-ditert-butylphenoxy)benzo[d][1,3,2]benzodioxaphosphepine;1,3,7,9-tetratert-butyl-11-(2,4-ditert-butylphenoxy)-5H-benzo[d][1,3,2]benzodioxaphosphocine;1,3,7,9-tetratert-butyl-11-(2-ethylhexoxy)-5H-benzo[d][1,3,2]benzodioxaphosphocine?
The IUPAC name of 2,4,8,10-tetratert-butyl-6-(2,6-ditert-butyl-4-methylphenoxy)benzo[d][1,3,2]benzodioxaphosphepine;2,4,8,10-tetratert-butyl-6-(2,4-ditert-butylphenoxy)benzo[d][1,3,2]benzodioxaphosphepine;1,3,7,9-tetratert-butyl-11-(2,4-ditert-butylphenoxy)-5H-benzo[d][1,3,2]benzodioxaphosphocine;1,3,7,9-tetratert-butyl-11-(2-ethylhexoxy)-5H-benzo[d][1,3,2]benzodioxaphosphocine (CID 160875204) is 2,4,8,10-tetratert-butyl-6-(2,6-ditert-butyl-4-methylphenoxy)benzo[d][1,3,2]benzodioxaphosphepine;2,4,8,10-tetratert-butyl-6-(2,4-ditert-butylphenoxy)benzo[d][1,3,2]benzodioxaphosphepine;1,3,7,9-tetratert-butyl-11-(2,4-ditert-butylphenoxy)-5H-benzo[d][1,3,2]benzodioxaphosphocine;1,3,7,9-tetratert-butyl-11-(2-ethylhexoxy)-5H-benzo[d][1,3,2]benzodioxaphosphocine.
What is the SMILES notation for 2,4,8,10-tetratert-butyl-6-(2,6-ditert-butyl-4-methylphenoxy)benzo[d][1,3,2]benzodioxaphosphepine;2,4,8,10-tetratert-butyl-6-(2,4-ditert-butylphenoxy)benzo[d][1,3,2]benzodioxaphosphepine;1,3,7,9-tetratert-butyl-11-(2,4-ditert-butylphenoxy)-5H-benzo[d][1,3,2]benzodioxaphosphocine;1,3,7,9-tetratert-butyl-11-(2-ethylhexoxy)-5H-benzo[d][1,3,2]benzodioxaphosphocine?
The canonical SMILES for 2,4,8,10-tetratert-butyl-6-(2,6-ditert-butyl-4-methylphenoxy)benzo[d][1,3,2]benzodioxaphosphepine;2,4,8,10-tetratert-butyl-6-(2,4-ditert-butylphenoxy)benzo[d][1,3,2]benzodioxaphosphepine;1,3,7,9-tetratert-butyl-11-(2,4-ditert-butylphenoxy)-5H-benzo[d][1,3,2]benzodioxaphosphocine;1,3,7,9-tetratert-butyl-11-(2-ethylhexoxy)-5H-benzo[d][1,3,2]benzodioxaphosphocine is CC(C)(C)c1ccc(OP2Oc3c(cc(C(C)(C)C)cc3C(C)(C)C)Cc3cc(C(C)(C)C)cc(C(C)(C)C)c3O2)c(C(C)(C)C)c1.CC(C)(C)c1ccc(Op2oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c3cc(C(C)(C)C)cc(C(C)(C)C)c3o2)c(C(C)(C)C)c1.CCCCC(CC)COP1Oc2c(cc(C(C)(C)C)cc2C(C)(C)C)Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O1.Cc1cc(C(C)(C)C)c(Op2oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c3cc(C(C)(C)C)cc(C(C)(C)C)c3o2)c(C(C)(C)C)c1.
What is the InChIKey of 2,4,8,10-tetratert-butyl-6-(2,6-ditert-butyl-4-methylphenoxy)benzo[d][1,3,2]benzodioxaphosphepine;2,4,8,10-tetratert-butyl-6-(2,4-ditert-butylphenoxy)benzo[d][1,3,2]benzodioxaphosphepine;1,3,7,9-tetratert-butyl-11-(2,4-ditert-butylphenoxy)-5H-benzo[d][1,3,2]benzodioxaphosphocine;1,3,7,9-tetratert-butyl-11-(2-ethylhexoxy)-5H-benzo[d][1,3,2]benzodioxaphosphocine?
The InChIKey is SMHLDNNBXJOCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C43H63O3P.C42H61O3P.C37H59O3P/c1-26-20-31(40(8,9)10)37(32(21-26)41(11,12)13)46-47-44-35-29(22-27(38(2,3)4)24-33(35)42(14,15)16)30-23-28(39(5,6)7)25-34(36(30)45-47)43(17,18)19;1-38(2,3)29-19-20-35(32(24-29)41(10,11)12)44-47-45-36-27(22-30(39(4,5)6)25-33(36)42(13,14)15)21-28-23-31(40(7,8)9)26-34(37(28)46-47)43(16,17)18;1-37(2,3)26-19-20-34(31(23-26)40(10,11)12)43-46-44-35-29(21-27(38(4,5)6)24-32(35)41(13,14)15)30-22-28(39(7,8)9)25-33(36(30)45-46)42(16,17)18;1-15-17-18-25(16-2)24-38-41-39-32-26(20-28(34(3,4)5)22-30(32)36(9,10)11)19-27-21-29(35(6,7)8)23-31(33(27)40-41)37(12,13)14/h20-25H,1-19H3;19-20,22-26H,21H2,1-18H3;19-25H,1-18H3;20-23,25H,15-19,24H2,1-14H3.
What are the key properties of 2,4,8,10-tetratert-butyl-6-(2,6-ditert-butyl-4-methylphenoxy)benzo[d][1,3,2]benzodioxaphosphepine;2,4,8,10-tetratert-butyl-6-(2,4-ditert-butylphenoxy)benzo[d][1,3,2]benzodioxaphosphepine;1,3,7,9-tetratert-butyl-11-(2,4-ditert-butylphenoxy)-5H-benzo[d][1,3,2]benzodioxaphosphocine;1,3,7,9-tetratert-butyl-11-(2-ethylhexoxy)-5H-benzo[d][1,3,2]benzodioxaphosphocine?
2,4,8,10-tetratert-butyl-6-(2,6-ditert-butyl-4-methylphenoxy)benzo[d][1,3,2]benzodioxaphosphepine;2,4,8,10-tetratert-butyl-6-(2,4-ditert-butylphenoxy)benzo[d][1,3,2]benzodioxaphosphepine;1,3,7,9-tetratert-butyl-11-(2,4-ditert-butylphenoxy)-5H-benzo[d][1,3,2]benzodioxaphosphocine;1,3,7,9-tetratert-butyl-11-(2-ethylhexoxy)-5H-benzo[d][1,3,2]benzodioxaphosphocine has a molecular weight of 2545.67 g/mol, XLogP of 52.98, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,8,10-tetratert-butyl-6-(2,6-ditert-butyl-4-methylphenoxy)benzo[d][1,3,2]benzodioxaphosphepine;2,4,8,10-tetratert-butyl-6-(2,4-ditert-butylphenoxy)benzo[d][1,3,2]benzodioxaphosphepine;1,3,7,9-tetratert-butyl-11-(2,4-ditert-butylphenoxy)-5H-benzo[d][1,3,2]benzodioxaphosphocine;1,3,7,9-tetratert-butyl-11-(2-ethylhexoxy)-5H-benzo[d][1,3,2]benzodioxaphosphocine is sourced from PubChem (CID 160875204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).