6,24-bis(4-fluorophenyl)-10-[2-phenoxy-5-[24-(4-phenoxyphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene

C84H48F2N4O4 — CID 138736933

IUPAC6,24-bis(4-fluorophenyl)-10-[2-phenoxy-5-[24-(4-phenoxyphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene
SMILESFc1ccc(-n2c3ccccc3c3c4oc5c(ccc6c5c5cc(-c7cc(-n8c9ccccc9c9c%10oc%11c(ccc%12c%11c%11ccccc%11n%12-c%11ccc(Oc%12ccccc%12)cc%11)c%10ccc98)ccc7Oc7ccccc7)ccc5n6-c5ccc(F)cc5)c4ccc32)cc1
InChIInChI=1S/C84H48F2N4O4/c85-50-24-28-52(29-25-50)87-68-20-10-7-17-63(68)77-72(87)42-38-61-62-40-45-75-80(84(62)94-82(61)77)67-47-49(23-41-71(67)89(75)53-30-26-51(86)27-31-53)66-48-55(34-46-76(66)92-57-15-5-2-6-16-57)90-70-22-12-9-19-65(70)79-74(90)44-39-60-59-37-43-73-78(81(59)93-83(60)79)64-18-8-11-21-69(64)88(73)54-32-35-58(36-33-54)91-56-13-3-1-4-14-56/h1-48H
InChIKeyGFYSHHZSQLIKFB-UHFFFAOYSA-N
MW1215.33 g/mol
LogP23.40
Rot. Bonds9

About 6,24-bis(4-fluorophenyl)-10-[2-phenoxy-5-[24-(4-phenoxyphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene

6,24-bis(4-fluorophenyl)-10-[2-phenoxy-5-[24-(4-phenoxyphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene (PubChem CID 138736933) has the molecular formula C84H48F2N4O4 and a molecular weight of 1215.33 g/mol. Its IUPAC name is 6,24-bis(4-fluorophenyl)-10-[2-phenoxy-5-[24-(4-phenoxyphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene.

Molecular Properties

Compound Name6,24-bis(4-fluorophenyl)-10-[2-phenoxy-5-[24-(4-phenoxyphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene
PubChem CID138736933
Molecular FormulaC84H48F2N4O4
Molecular Weight1215.33 g/mol
Exact Mass1214.36
IUPAC Name6,24-bis(4-fluorophenyl)-10-[2-phenoxy-5-[24-(4-phenoxyphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene
SMILESFc1ccc(-n2c3ccccc3c3c4oc5c(ccc6c5c5cc(-c7cc(-n8c9ccccc9c9c%10oc%11c(ccc%12c%11c%11ccccc%11n%12-c%11ccc(Oc%12ccccc%12)cc%11)c%10ccc98)ccc7Oc7ccccc7)ccc5n6-c5ccc(F)cc5)c4ccc32)cc1
InChIInChI=1S/C84H48F2N4O4/c85-50-24-28-52(29-25-50)87-68-20-10-7-17-63(68)77-72(87)42-38-61-62-40-45-75-80(84(62)94-82(61)77)67-47-49(23-41-71(67)89(75)53-30-26-51(86)27-31-53)66-48-55(34-46-76(66)92-57-15-5-2-6-16-57)90-70-22-12-9-19-65(70)79-74(90)44-39-60-59-37-43-73-78(81(59)93-83(60)79)64-18-8-11-21-69(64)88(73)54-32-35-58(36-33-54)91-56-13-3-1-4-14-56/h1-48H
InChIKeyGFYSHHZSQLIKFB-UHFFFAOYSA-N
XLogP23.40
TPSA64.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001215.33
LogP ≤ 523.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6,24-bis(4-fluorophenyl)-10-[2-phenoxy-5-[24-(4-phenoxyphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,24-bis(4-fluorophenyl)-10-[2-phenoxy-5-[24-(4-phenoxyphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene?
The IUPAC name of 6,24-bis(4-fluorophenyl)-10-[2-phenoxy-5-[24-(4-phenoxyphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene (CID 138736933) is 6,24-bis(4-fluorophenyl)-10-[2-phenoxy-5-[24-(4-phenoxyphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene.
What is the SMILES notation for 6,24-bis(4-fluorophenyl)-10-[2-phenoxy-5-[24-(4-phenoxyphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene?
The canonical SMILES for 6,24-bis(4-fluorophenyl)-10-[2-phenoxy-5-[24-(4-phenoxyphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene is Fc1ccc(-n2c3ccccc3c3c4oc5c(ccc6c5c5cc(-c7cc(-n8c9ccccc9c9c%10oc%11c(ccc%12c%11c%11ccccc%11n%12-c%11ccc(Oc%12ccccc%12)cc%11)c%10ccc98)ccc7Oc7ccccc7)ccc5n6-c5ccc(F)cc5)c4ccc32)cc1.
What is the InChIKey of 6,24-bis(4-fluorophenyl)-10-[2-phenoxy-5-[24-(4-phenoxyphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene?
The InChIKey is GFYSHHZSQLIKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H48F2N4O4/c85-50-24-28-52(29-25-50)87-68-20-10-7-17-63(68)77-72(87)42-38-61-62-40-45-75-80(84(62)94-82(61)77)67-47-49(23-41-71(67)89(75)53-30-26-51(86)27-31-53)66-48-55(34-46-76(66)92-57-15-5-2-6-16-57)90-70-22-12-9-19-65(70)79-74(90)44-39-60-59-37-43-73-78(81(59)93-83(60)79)64-18-8-11-21-69(64)88(73)54-32-35-58(36-33-54)91-56-13-3-1-4-14-56/h1-48H.
What are the key properties of 6,24-bis(4-fluorophenyl)-10-[2-phenoxy-5-[24-(4-phenoxyphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene?
6,24-bis(4-fluorophenyl)-10-[2-phenoxy-5-[24-(4-phenoxyphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene has a molecular weight of 1215.33 g/mol, XLogP of 23.40, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,24-bis(4-fluorophenyl)-10-[2-phenoxy-5-[24-(4-phenoxyphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene is sourced from PubChem (CID 138736933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).