15,25,33,35-tetrakis(phenylmethoxy)-4,11-diazahexacyclo[12.11.7.13,24.112,16.118,22.127,31]hexatriaconta-1,3(34),12(36),13,15,18,20,22(35),24,27(33),28,30-dodecaene-5,10-dione

C62H56N2O6 — CID 10819628

IUPAC15,25,33,35-tetrakis(phenylmethoxy)-4,11-diazahexacyclo[12.11.7.13,24.112,16.118,22.127,31]hexatriaconta-1,3(34),12(36),13,15,18,20,22(35),24,27(33),28,30-dodecaene-5,10-dione
SMILESO=C1CCCCC(=O)Nc2cc3c(OCc4ccccc4)c(c2)Cc2cccc(c2OCc2ccccc2)Cc2cc(cc(c2OCc2ccccc2)Cc2cccc(c2OCc2ccccc2)C3)N1
InChIInChI=1S/C62H56N2O6/c65-57-29-13-14-30-58(66)64-56-36-52-32-48-26-15-25-47(59(48)67-39-43-17-5-1-6-18-43)31-51-35-55(63-57)37-53(61(51)69-41-45-21-9-3-10-22-45)33-49-27-16-28-50(60(49)68-40-44-19-7-2-8-20-44)34-54(38-56)62(52)70-42-46-23-11-4-12-24-46/h1-12,15-28,35-38H,13-14,29-34,39-42H2,(H,63,65)(H,64,66)
InChIKeyDMCITECGFSFOLB-UHFFFAOYSA-N
MW925.14 g/mol
LogP13.13
Rot. Bonds12

About 15,25,33,35-tetrakis(phenylmethoxy)-4,11-diazahexacyclo[12.11.7.13,24.112,16.118,22.127,31]hexatriaconta-1,3(34),12(36),13,15,18,20,22(35),24,27(33),28,30-dodecaene-5,10-dione

15,25,33,35-tetrakis(phenylmethoxy)-4,11-diazahexacyclo[12.11.7.13,24.112,16.118,22.127,31]hexatriaconta-1,3(34),12(36),13,15,18,20,22(35),24,27(33),28,30-dodecaene-5,10-dione (PubChem CID 10819628) has the molecular formula C62H56N2O6 and a molecular weight of 925.14 g/mol. Its IUPAC name is 15,25,33,35-tetrakis(phenylmethoxy)-4,11-diazahexacyclo[12.11.7.13,24.112,16.118,22.127,31]hexatriaconta-1,3(34),12(36),13,15,18,20,22(35),24,27(33),28,30-dodecaene-5,10-dione.

Molecular Properties

Compound Name15,25,33,35-tetrakis(phenylmethoxy)-4,11-diazahexacyclo[12.11.7.13,24.112,16.118,22.127,31]hexatriaconta-1,3(34),12(36),13,15,18,20,22(35),24,27(33),28,30-dodecaene-5,10-dione
PubChem CID10819628
Molecular FormulaC62H56N2O6
Molecular Weight925.14 g/mol
Exact Mass924.41
IUPAC Name15,25,33,35-tetrakis(phenylmethoxy)-4,11-diazahexacyclo[12.11.7.13,24.112,16.118,22.127,31]hexatriaconta-1,3(34),12(36),13,15,18,20,22(35),24,27(33),28,30-dodecaene-5,10-dione
SMILESO=C1CCCCC(=O)Nc2cc3c(OCc4ccccc4)c(c2)Cc2cccc(c2OCc2ccccc2)Cc2cc(cc(c2OCc2ccccc2)Cc2cccc(c2OCc2ccccc2)C3)N1
InChIInChI=1S/C62H56N2O6/c65-57-29-13-14-30-58(66)64-56-36-52-32-48-26-15-25-47(59(48)67-39-43-17-5-1-6-18-43)31-51-35-55(63-57)37-53(61(51)69-41-45-21-9-3-10-22-45)33-49-27-16-28-50(60(49)68-40-44-19-7-2-8-20-44)34-54(38-56)62(52)70-42-46-23-11-4-12-24-46/h1-12,15-28,35-38H,13-14,29-34,39-42H2,(H,63,65)(H,64,66)
InChIKeyDMCITECGFSFOLB-UHFFFAOYSA-N
XLogP13.13
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500925.14
LogP ≤ 513.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 15,25,33,35-tetrakis(phenylmethoxy)-4,11-diazahexacyclo[12.11.7.13,24.112,16.118,22.127,31]hexatriaconta-1,3(34),12(36),13,15,18,20,22(35),24,27(33),28,30-dodecaene-5,10-dione with MolForge

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Related Compounds

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dimethyl-phenyl-[11,17,23-tris[dimethyl(phenyl)silyl]-25,26,27,28-tetrakis(phenylmethoxy)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]silane
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43,44-bis(phenylmethoxy)-3,6,9,12,15,18-hexaoxahexacyclo[18.15.7.126,30.137,41.02,32.019,24]tetratetraconta-1(35),2(32),19(24),20,22,26,28,30(44),33,37(43),38,40-dodecaene
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2-[[27-(2-chloro-2-oxoethoxy)-11,23-dinitro-26,28-bis(phenylmethoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaenyl]oxy]acetyl chloride
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Frequently Asked Questions

What is the IUPAC name of 15,25,33,35-tetrakis(phenylmethoxy)-4,11-diazahexacyclo[12.11.7.13,24.112,16.118,22.127,31]hexatriaconta-1,3(34),12(36),13,15,18,20,22(35),24,27(33),28,30-dodecaene-5,10-dione?
The IUPAC name of 15,25,33,35-tetrakis(phenylmethoxy)-4,11-diazahexacyclo[12.11.7.13,24.112,16.118,22.127,31]hexatriaconta-1,3(34),12(36),13,15,18,20,22(35),24,27(33),28,30-dodecaene-5,10-dione (CID 10819628) is 15,25,33,35-tetrakis(phenylmethoxy)-4,11-diazahexacyclo[12.11.7.13,24.112,16.118,22.127,31]hexatriaconta-1,3(34),12(36),13,15,18,20,22(35),24,27(33),28,30-dodecaene-5,10-dione.
What is the SMILES notation for 15,25,33,35-tetrakis(phenylmethoxy)-4,11-diazahexacyclo[12.11.7.13,24.112,16.118,22.127,31]hexatriaconta-1,3(34),12(36),13,15,18,20,22(35),24,27(33),28,30-dodecaene-5,10-dione?
The canonical SMILES for 15,25,33,35-tetrakis(phenylmethoxy)-4,11-diazahexacyclo[12.11.7.13,24.112,16.118,22.127,31]hexatriaconta-1,3(34),12(36),13,15,18,20,22(35),24,27(33),28,30-dodecaene-5,10-dione is O=C1CCCCC(=O)Nc2cc3c(OCc4ccccc4)c(c2)Cc2cccc(c2OCc2ccccc2)Cc2cc(cc(c2OCc2ccccc2)Cc2cccc(c2OCc2ccccc2)C3)N1.
What is the InChIKey of 15,25,33,35-tetrakis(phenylmethoxy)-4,11-diazahexacyclo[12.11.7.13,24.112,16.118,22.127,31]hexatriaconta-1,3(34),12(36),13,15,18,20,22(35),24,27(33),28,30-dodecaene-5,10-dione?
The InChIKey is DMCITECGFSFOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H56N2O6/c65-57-29-13-14-30-58(66)64-56-36-52-32-48-26-15-25-47(59(48)67-39-43-17-5-1-6-18-43)31-51-35-55(63-57)37-53(61(51)69-41-45-21-9-3-10-22-45)33-49-27-16-28-50(60(49)68-40-44-19-7-2-8-20-44)34-54(38-56)62(52)70-42-46-23-11-4-12-24-46/h1-12,15-28,35-38H,13-14,29-34,39-42H2,(H,63,65)(H,64,66).
What are the key properties of 15,25,33,35-tetrakis(phenylmethoxy)-4,11-diazahexacyclo[12.11.7.13,24.112,16.118,22.127,31]hexatriaconta-1,3(34),12(36),13,15,18,20,22(35),24,27(33),28,30-dodecaene-5,10-dione?
15,25,33,35-tetrakis(phenylmethoxy)-4,11-diazahexacyclo[12.11.7.13,24.112,16.118,22.127,31]hexatriaconta-1,3(34),12(36),13,15,18,20,22(35),24,27(33),28,30-dodecaene-5,10-dione has a molecular weight of 925.14 g/mol, XLogP of 13.13, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 15,25,33,35-tetrakis(phenylmethoxy)-4,11-diazahexacyclo[12.11.7.13,24.112,16.118,22.127,31]hexatriaconta-1,3(34),12(36),13,15,18,20,22(35),24,27(33),28,30-dodecaene-5,10-dione is sourced from PubChem (CID 10819628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).