2,4,8,10-tetramethyl-6-[[8-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-12-pentacyclo[8.6.0.01,3.04,9.011,16]hexadeca-4(9),5,7,11(16),12,14-hexaenyl]oxy]benzo[d][1,3,2]benzodioxaphosphepine

C48H42O6P2 — CID 145231460

IUPAC2,4,8,10-tetramethyl-6-[[8-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-12-pentacyclo[8.6.0.01,3.04,9.011,16]hexadeca-4(9),5,7,11(16),12,14-hexaenyl]oxy]benzo[d][1,3,2]benzodioxaphosphepine
SMILESCc1cc(C)c2op(Oc3cccc4c3C3c5c(Op6oc7c(C)cc(C)cc7c7cc(C)cc(C)c7o6)cccc5C35CC45)oc3c(C)cc(C)cc3c2c1
InChIInChI=1S/C48H42O6P2/c1-24-15-28(5)44-33(19-24)34-20-25(2)16-29(6)45(34)52-55(51-44)49-39-13-9-11-32-38-23-48(38)37-12-10-14-40(42(37)43(48)41(32)39)50-56-53-46-30(7)17-26(3)21-35(46)36-22-27(4)18-31(8)47(36)54-56/h9-22,38,43H,23H2,1-8H3
InChIKeyPPLNGCBFZLRHKQ-UHFFFAOYSA-N
MW776.81 g/mol
LogP14.93
Rot. Bonds4

About 2,4,8,10-tetramethyl-6-[[8-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-12-pentacyclo[8.6.0.01,3.04,9.011,16]hexadeca-4(9),5,7,11(16),12,14-hexaenyl]oxy]benzo[d][1,3,2]benzodioxaphosphepine

2,4,8,10-tetramethyl-6-[[8-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-12-pentacyclo[8.6.0.01,3.04,9.011,16]hexadeca-4(9),5,7,11(16),12,14-hexaenyl]oxy]benzo[d][1,3,2]benzodioxaphosphepine (PubChem CID 145231460) has the molecular formula C48H42O6P2 and a molecular weight of 776.81 g/mol. Its IUPAC name is 2,4,8,10-tetramethyl-6-[[8-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-12-pentacyclo[8.6.0.01,3.04,9.011,16]hexadeca-4(9),5,7,11(16),12,14-hexaenyl]oxy]benzo[d][1,3,2]benzodioxaphosphepine.

Molecular Properties

Compound Name2,4,8,10-tetramethyl-6-[[8-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-12-pentacyclo[8.6.0.01,3.04,9.011,16]hexadeca-4(9),5,7,11(16),12,14-hexaenyl]oxy]benzo[d][1,3,2]benzodioxaphosphepine
PubChem CID145231460
Molecular FormulaC48H42O6P2
Molecular Weight776.81 g/mol
Exact Mass776.25
IUPAC Name2,4,8,10-tetramethyl-6-[[8-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-12-pentacyclo[8.6.0.01,3.04,9.011,16]hexadeca-4(9),5,7,11(16),12,14-hexaenyl]oxy]benzo[d][1,3,2]benzodioxaphosphepine
SMILESCc1cc(C)c2op(Oc3cccc4c3C3c5c(Op6oc7c(C)cc(C)cc7c7cc(C)cc(C)c7o6)cccc5C35CC45)oc3c(C)cc(C)cc3c2c1
InChIInChI=1S/C48H42O6P2/c1-24-15-28(5)44-33(19-24)34-20-25(2)16-29(6)45(34)52-55(51-44)49-39-13-9-11-32-38-23-48(38)37-12-10-14-40(42(37)43(48)41(32)39)50-56-53-46-30(7)17-26(3)21-35(46)36-22-27(4)18-31(8)47(36)54-56/h9-22,38,43H,23H2,1-8H3
InChIKeyPPLNGCBFZLRHKQ-UHFFFAOYSA-N
XLogP14.93
TPSA71.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.81
LogP ≤ 514.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,4,8,10-tetramethyl-6-[[8-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-12-pentacyclo[8.6.0.01,3.04,9.011,16]hexadeca-4(9),5,7,11(16),12,14-hexaenyl]oxy]benzo[d][1,3,2]benzodioxaphosphepine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4,8,10-tetramethyl-6-[[8-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-12-pentacyclo[8.6.0.01,3.04,9.011,16]hexadeca-4(9),5,7,11(16),12,14-hexaenyl]oxy]benzo[d][1,3,2]benzodioxaphosphepine?
The IUPAC name of 2,4,8,10-tetramethyl-6-[[8-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-12-pentacyclo[8.6.0.01,3.04,9.011,16]hexadeca-4(9),5,7,11(16),12,14-hexaenyl]oxy]benzo[d][1,3,2]benzodioxaphosphepine (CID 145231460) is 2,4,8,10-tetramethyl-6-[[8-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-12-pentacyclo[8.6.0.01,3.04,9.011,16]hexadeca-4(9),5,7,11(16),12,14-hexaenyl]oxy]benzo[d][1,3,2]benzodioxaphosphepine.
What is the SMILES notation for 2,4,8,10-tetramethyl-6-[[8-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-12-pentacyclo[8.6.0.01,3.04,9.011,16]hexadeca-4(9),5,7,11(16),12,14-hexaenyl]oxy]benzo[d][1,3,2]benzodioxaphosphepine?
The canonical SMILES for 2,4,8,10-tetramethyl-6-[[8-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-12-pentacyclo[8.6.0.01,3.04,9.011,16]hexadeca-4(9),5,7,11(16),12,14-hexaenyl]oxy]benzo[d][1,3,2]benzodioxaphosphepine is Cc1cc(C)c2op(Oc3cccc4c3C3c5c(Op6oc7c(C)cc(C)cc7c7cc(C)cc(C)c7o6)cccc5C35CC45)oc3c(C)cc(C)cc3c2c1.
What is the InChIKey of 2,4,8,10-tetramethyl-6-[[8-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-12-pentacyclo[8.6.0.01,3.04,9.011,16]hexadeca-4(9),5,7,11(16),12,14-hexaenyl]oxy]benzo[d][1,3,2]benzodioxaphosphepine?
The InChIKey is PPLNGCBFZLRHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H42O6P2/c1-24-15-28(5)44-33(19-24)34-20-25(2)16-29(6)45(34)52-55(51-44)49-39-13-9-11-32-38-23-48(38)37-12-10-14-40(42(37)43(48)41(32)39)50-56-53-46-30(7)17-26(3)21-35(46)36-22-27(4)18-31(8)47(36)54-56/h9-22,38,43H,23H2,1-8H3.
What are the key properties of 2,4,8,10-tetramethyl-6-[[8-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-12-pentacyclo[8.6.0.01,3.04,9.011,16]hexadeca-4(9),5,7,11(16),12,14-hexaenyl]oxy]benzo[d][1,3,2]benzodioxaphosphepine?
2,4,8,10-tetramethyl-6-[[8-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-12-pentacyclo[8.6.0.01,3.04,9.011,16]hexadeca-4(9),5,7,11(16),12,14-hexaenyl]oxy]benzo[d][1,3,2]benzodioxaphosphepine has a molecular weight of 776.81 g/mol, XLogP of 14.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,8,10-tetramethyl-6-[[8-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-12-pentacyclo[8.6.0.01,3.04,9.011,16]hexadeca-4(9),5,7,11(16),12,14-hexaenyl]oxy]benzo[d][1,3,2]benzodioxaphosphepine is sourced from PubChem (CID 145231460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).