4,15-diphenyl-3-N,16-N-bis(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene-3,16-diamine

C58H52N2O6P2 — CID 20606146

IUPAC4,15-diphenyl-3-N,16-N-bis(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene-3,16-diamine
SMILESCc1cc(C)c2op(Nc3c(-c4ccccc4)ccc4c3-c3c(ccc(-c5ccccc5)c3Np3oc5c(C)cc(C)cc5c5cc(C)cc(C)c5o3)OCCO4)oc3c(C)cc(C)cc3c2c1
InChIInChI=1S/C58H52N2O6P2/c1-33-25-37(5)55-45(29-33)46-30-34(2)26-38(6)56(46)64-67(63-55)59-53-43(41-15-11-9-12-16-41)19-21-49-51(53)52-50(62-24-23-61-49)22-20-44(42-17-13-10-14-18-42)54(52)60-68-65-57-39(7)27-35(3)31-47(57)48-32-36(4)28-40(8)58(48)66-68/h9-22,25-32,59-60H,23-24H2,1-8H3
InChIKeyDBCDFLIAOJSIFX-UHFFFAOYSA-N
MW935.01 g/mol
LogP17.88
Rot. Bonds6

About 4,15-diphenyl-3-N,16-N-bis(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene-3,16-diamine

4,15-diphenyl-3-N,16-N-bis(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene-3,16-diamine (PubChem CID 20606146) has the molecular formula C58H52N2O6P2 and a molecular weight of 935.01 g/mol. Its IUPAC name is 4,15-diphenyl-3-N,16-N-bis(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene-3,16-diamine.

Molecular Properties

Compound Name4,15-diphenyl-3-N,16-N-bis(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene-3,16-diamine
PubChem CID20606146
Molecular FormulaC58H52N2O6P2
Molecular Weight935.01 g/mol
Exact Mass934.33
IUPAC Name4,15-diphenyl-3-N,16-N-bis(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene-3,16-diamine
SMILESCc1cc(C)c2op(Nc3c(-c4ccccc4)ccc4c3-c3c(ccc(-c5ccccc5)c3Np3oc5c(C)cc(C)cc5c5cc(C)cc(C)c5o3)OCCO4)oc3c(C)cc(C)cc3c2c1
InChIInChI=1S/C58H52N2O6P2/c1-33-25-37(5)55-45(29-33)46-30-34(2)26-38(6)56(46)64-67(63-55)59-53-43(41-15-11-9-12-16-41)19-21-49-51(53)52-50(62-24-23-61-49)22-20-44(42-17-13-10-14-18-42)54(52)60-68-65-57-39(7)27-35(3)31-47(57)48-32-36(4)28-40(8)58(48)66-68/h9-22,25-32,59-60H,23-24H2,1-8H3
InChIKeyDBCDFLIAOJSIFX-UHFFFAOYSA-N
XLogP17.88
TPSA95.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500935.01
LogP ≤ 517.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4,15-diphenyl-3-N,16-N-bis(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene-3,16-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,15-diphenyl-3-N,16-N-bis(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene-3,16-diamine?
The IUPAC name of 4,15-diphenyl-3-N,16-N-bis(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene-3,16-diamine (CID 20606146) is 4,15-diphenyl-3-N,16-N-bis(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene-3,16-diamine.
What is the SMILES notation for 4,15-diphenyl-3-N,16-N-bis(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene-3,16-diamine?
The canonical SMILES for 4,15-diphenyl-3-N,16-N-bis(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene-3,16-diamine is Cc1cc(C)c2op(Nc3c(-c4ccccc4)ccc4c3-c3c(ccc(-c5ccccc5)c3Np3oc5c(C)cc(C)cc5c5cc(C)cc(C)c5o3)OCCO4)oc3c(C)cc(C)cc3c2c1.
What is the InChIKey of 4,15-diphenyl-3-N,16-N-bis(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene-3,16-diamine?
The InChIKey is DBCDFLIAOJSIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H52N2O6P2/c1-33-25-37(5)55-45(29-33)46-30-34(2)26-38(6)56(46)64-67(63-55)59-53-43(41-15-11-9-12-16-41)19-21-49-51(53)52-50(62-24-23-61-49)22-20-44(42-17-13-10-14-18-42)54(52)60-68-65-57-39(7)27-35(3)31-47(57)48-32-36(4)28-40(8)58(48)66-68/h9-22,25-32,59-60H,23-24H2,1-8H3.
What are the key properties of 4,15-diphenyl-3-N,16-N-bis(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene-3,16-diamine?
4,15-diphenyl-3-N,16-N-bis(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene-3,16-diamine has a molecular weight of 935.01 g/mol, XLogP of 17.88, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,15-diphenyl-3-N,16-N-bis(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene-3,16-diamine is sourced from PubChem (CID 20606146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).