7-phenylmethoxy-13-(phenylmethoxymethyl)-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-20,22-dioxa-3,13,26-triazaheptacyclo[14.10.0.02,10.04,9.011,15.017,25.019,23]hexacosa-1,4(9),5,7,10,15,17,19(23),24-nonaene-12,14-dione

C70H59N3O11 — CID 58716429

IUPAC7-phenylmethoxy-13-(phenylmethoxymethyl)-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-20,22-dioxa-3,13,26-triazaheptacyclo[14.10.0.02,10.04,9.011,15.017,25.019,23]hexacosa-1,4(9),5,7,10,15,17,19(23),24-nonaene-12,14-dione
SMILESO=C1c2c(c3c4cc(OCc5ccccc5)ccc4n(C4OC(COCc5ccccc5)C(OCc5ccccc5)C(OCc5ccccc5)C4OCc4ccccc4)c3c3[nH]c4cc5c(cc4c23)OCO5)C(=O)N1COCc1ccccc1
InChIInChI=1S/C70H59N3O11/c74-68-61-59-52-34-56-57(83-44-82-56)35-54(52)71-63(59)64-60(62(61)69(75)72(68)43-77-37-46-21-9-2-10-22-46)53-33-51(78-38-47-23-11-3-12-24-47)31-32-55(53)73(64)70-67(81-41-50-29-17-6-18-30-50)66(80-40-49-27-15-5-16-28-49)65(79-39-48-25-13-4-14-26-48)58(84-70)42-76-36-45-19-7-1-8-20-45/h1-35,58,65-67,70-71H,36-44H2
InChIKeyZMGMQICLRFDVBL-UHFFFAOYSA-N
MW1118.25 g/mol
LogP13.38
Rot. Bonds21

About 7-phenylmethoxy-13-(phenylmethoxymethyl)-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-20,22-dioxa-3,13,26-triazaheptacyclo[14.10.0.02,10.04,9.011,15.017,25.019,23]hexacosa-1,4(9),5,7,10,15,17,19(23),24-nonaene-12,14-dione

7-phenylmethoxy-13-(phenylmethoxymethyl)-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-20,22-dioxa-3,13,26-triazaheptacyclo[14.10.0.02,10.04,9.011,15.017,25.019,23]hexacosa-1,4(9),5,7,10,15,17,19(23),24-nonaene-12,14-dione (PubChem CID 58716429) has the molecular formula C70H59N3O11 and a molecular weight of 1118.25 g/mol. Its IUPAC name is 7-phenylmethoxy-13-(phenylmethoxymethyl)-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-20,22-dioxa-3,13,26-triazaheptacyclo[14.10.0.02,10.04,9.011,15.017,25.019,23]hexacosa-1,4(9),5,7,10,15,17,19(23),24-nonaene-12,14-dione.

Molecular Properties

Compound Name7-phenylmethoxy-13-(phenylmethoxymethyl)-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-20,22-dioxa-3,13,26-triazaheptacyclo[14.10.0.02,10.04,9.011,15.017,25.019,23]hexacosa-1,4(9),5,7,10,15,17,19(23),24-nonaene-12,14-dione
PubChem CID58716429
Molecular FormulaC70H59N3O11
Molecular Weight1118.25 g/mol
Exact Mass1117.41
IUPAC Name7-phenylmethoxy-13-(phenylmethoxymethyl)-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-20,22-dioxa-3,13,26-triazaheptacyclo[14.10.0.02,10.04,9.011,15.017,25.019,23]hexacosa-1,4(9),5,7,10,15,17,19(23),24-nonaene-12,14-dione
SMILESO=C1c2c(c3c4cc(OCc5ccccc5)ccc4n(C4OC(COCc5ccccc5)C(OCc5ccccc5)C(OCc5ccccc5)C4OCc4ccccc4)c3c3[nH]c4cc5c(cc4c23)OCO5)C(=O)N1COCc1ccccc1
InChIInChI=1S/C70H59N3O11/c74-68-61-59-52-34-56-57(83-44-82-56)35-54(52)71-63(59)64-60(62(61)69(75)72(68)43-77-37-46-21-9-2-10-22-46)53-33-51(78-38-47-23-11-3-12-24-47)31-32-55(53)73(64)70-67(81-41-50-29-17-6-18-30-50)66(80-40-49-27-15-5-16-28-49)65(79-39-48-25-13-4-14-26-48)58(84-70)42-76-36-45-19-7-1-8-20-45/h1-35,58,65-67,70-71H,36-44H2
InChIKeyZMGMQICLRFDVBL-UHFFFAOYSA-N
XLogP13.38
TPSA141.17 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001118.25
LogP ≤ 513.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 7-phenylmethoxy-13-(phenylmethoxymethyl)-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-20,22-dioxa-3,13,26-triazaheptacyclo[14.10.0.02,10.04,9.011,15.017,25.019,23]hexacosa-1,4(9),5,7,10,15,17,19(23),24-nonaene-12,14-dione with MolForge

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Related Compounds

13-methyl-20-phenylmethoxy-3-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17(22),18,20-nonaene-12,14-dione
CID 101048099
3-[(2R,3R,4S,5R,6R)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]-13-methyl-6,20-bis(phenylmethoxy)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
CID 62705825
6,20-bis(phenylmethoxy)-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-13-oxa-3,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione;N-methyl-1,3-bis(phenylmethoxy)propan-2-amine
CID 91047917
2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1H-indole
CID 11296656
3-[(2R,3R,4S)-6,6-bis(hydroxymethyl)-3,4-bis(phenylmethoxy)oxan-2-yl]-6,7,19,20-tetrafluoro-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
CID 139993735
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2S,3S,4R,5R)-2-[2,4-bis(phenylmethoxy)phenyl]-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
CID 10604679
1-[(2S,3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 71500431
7-hydroxy-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-20,23-dioxa-3,13,27-triazaheptacyclo[14.11.0.02,10.04,9.011,15.017,26.019,24]heptacosa-1,4(9),5,7,10,15,17,19(24),25-nonaene-12,14-dione
CID 91158580
(2S,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66864680
1-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]imidazole
CID 11261834
[(3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] hypofluorite
CID 101133508

Frequently Asked Questions

What is the IUPAC name of 7-phenylmethoxy-13-(phenylmethoxymethyl)-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-20,22-dioxa-3,13,26-triazaheptacyclo[14.10.0.02,10.04,9.011,15.017,25.019,23]hexacosa-1,4(9),5,7,10,15,17,19(23),24-nonaene-12,14-dione?
The IUPAC name of 7-phenylmethoxy-13-(phenylmethoxymethyl)-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-20,22-dioxa-3,13,26-triazaheptacyclo[14.10.0.02,10.04,9.011,15.017,25.019,23]hexacosa-1,4(9),5,7,10,15,17,19(23),24-nonaene-12,14-dione (CID 58716429) is 7-phenylmethoxy-13-(phenylmethoxymethyl)-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-20,22-dioxa-3,13,26-triazaheptacyclo[14.10.0.02,10.04,9.011,15.017,25.019,23]hexacosa-1,4(9),5,7,10,15,17,19(23),24-nonaene-12,14-dione.
What is the SMILES notation for 7-phenylmethoxy-13-(phenylmethoxymethyl)-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-20,22-dioxa-3,13,26-triazaheptacyclo[14.10.0.02,10.04,9.011,15.017,25.019,23]hexacosa-1,4(9),5,7,10,15,17,19(23),24-nonaene-12,14-dione?
The canonical SMILES for 7-phenylmethoxy-13-(phenylmethoxymethyl)-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-20,22-dioxa-3,13,26-triazaheptacyclo[14.10.0.02,10.04,9.011,15.017,25.019,23]hexacosa-1,4(9),5,7,10,15,17,19(23),24-nonaene-12,14-dione is O=C1c2c(c3c4cc(OCc5ccccc5)ccc4n(C4OC(COCc5ccccc5)C(OCc5ccccc5)C(OCc5ccccc5)C4OCc4ccccc4)c3c3[nH]c4cc5c(cc4c23)OCO5)C(=O)N1COCc1ccccc1.
What is the InChIKey of 7-phenylmethoxy-13-(phenylmethoxymethyl)-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-20,22-dioxa-3,13,26-triazaheptacyclo[14.10.0.02,10.04,9.011,15.017,25.019,23]hexacosa-1,4(9),5,7,10,15,17,19(23),24-nonaene-12,14-dione?
The InChIKey is ZMGMQICLRFDVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H59N3O11/c74-68-61-59-52-34-56-57(83-44-82-56)35-54(52)71-63(59)64-60(62(61)69(75)72(68)43-77-37-46-21-9-2-10-22-46)53-33-51(78-38-47-23-11-3-12-24-47)31-32-55(53)73(64)70-67(81-41-50-29-17-6-18-30-50)66(80-40-49-27-15-5-16-28-49)65(79-39-48-25-13-4-14-26-48)58(84-70)42-76-36-45-19-7-1-8-20-45/h1-35,58,65-67,70-71H,36-44H2.
What are the key properties of 7-phenylmethoxy-13-(phenylmethoxymethyl)-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-20,22-dioxa-3,13,26-triazaheptacyclo[14.10.0.02,10.04,9.011,15.017,25.019,23]hexacosa-1,4(9),5,7,10,15,17,19(23),24-nonaene-12,14-dione?
7-phenylmethoxy-13-(phenylmethoxymethyl)-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-20,22-dioxa-3,13,26-triazaheptacyclo[14.10.0.02,10.04,9.011,15.017,25.019,23]hexacosa-1,4(9),5,7,10,15,17,19(23),24-nonaene-12,14-dione has a molecular weight of 1118.25 g/mol, XLogP of 13.38, 21 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenylmethoxy-13-(phenylmethoxymethyl)-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-20,22-dioxa-3,13,26-triazaheptacyclo[14.10.0.02,10.04,9.011,15.017,25.019,23]hexacosa-1,4(9),5,7,10,15,17,19(23),24-nonaene-12,14-dione is sourced from PubChem (CID 58716429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).