8-fluoro-15,24-diphenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5(10),6,8,12,17(25),18,20,22,26-dodecaene

C36H21FN2O — CID 126678120

IUPAC8-fluoro-15,24-diphenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5(10),6,8,12,17(25),18,20,22,26-dodecaene
SMILESFc1ccc2oc3c(ccc4c3c3ccc5c(c6ccccc6n5-c5ccccc5)c3n4-c3ccccc3)c2c1
InChIInChI=1S/C36H21FN2O/c37-22-15-20-32-28(21-22)25-16-18-31-34(36(25)40-32)27-17-19-30-33(35(27)39(31)24-11-5-2-6-12-24)26-13-7-8-14-29(26)38(30)23-9-3-1-4-10-23/h1-21H
InChIKeyWIEALBCSQUHVTI-UHFFFAOYSA-N
MW516.58 g/mol
LogP9.92
Rot. Bonds2

About 8-fluoro-15,24-diphenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5(10),6,8,12,17(25),18,20,22,26-dodecaene

8-fluoro-15,24-diphenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5(10),6,8,12,17(25),18,20,22,26-dodecaene (PubChem CID 126678120) has the molecular formula C36H21FN2O and a molecular weight of 516.58 g/mol. Its IUPAC name is 8-fluoro-15,24-diphenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5(10),6,8,12,17(25),18,20,22,26-dodecaene.

Molecular Properties

Compound Name8-fluoro-15,24-diphenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5(10),6,8,12,17(25),18,20,22,26-dodecaene
PubChem CID126678120
Molecular FormulaC36H21FN2O
Molecular Weight516.58 g/mol
Exact Mass516.16
IUPAC Name8-fluoro-15,24-diphenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5(10),6,8,12,17(25),18,20,22,26-dodecaene
SMILESFc1ccc2oc3c(ccc4c3c3ccc5c(c6ccccc6n5-c5ccccc5)c3n4-c3ccccc3)c2c1
InChIInChI=1S/C36H21FN2O/c37-22-15-20-32-28(21-22)25-16-18-31-34(36(25)40-32)27-17-19-30-33(35(27)39(31)24-11-5-2-6-12-24)26-13-7-8-14-29(26)38(30)23-9-3-1-4-10-23/h1-21H
InChIKeyWIEALBCSQUHVTI-UHFFFAOYSA-N
XLogP9.92
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.58
LogP ≤ 59.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-fluoro-15,24-diphenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5(10),6,8,12,17(25),18,20,22,26-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-15,24-diphenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5(10),6,8,12,17(25),18,20,22,26-dodecaene?
The IUPAC name of 8-fluoro-15,24-diphenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5(10),6,8,12,17(25),18,20,22,26-dodecaene (CID 126678120) is 8-fluoro-15,24-diphenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5(10),6,8,12,17(25),18,20,22,26-dodecaene.
What is the SMILES notation for 8-fluoro-15,24-diphenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5(10),6,8,12,17(25),18,20,22,26-dodecaene?
The canonical SMILES for 8-fluoro-15,24-diphenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5(10),6,8,12,17(25),18,20,22,26-dodecaene is Fc1ccc2oc3c(ccc4c3c3ccc5c(c6ccccc6n5-c5ccccc5)c3n4-c3ccccc3)c2c1.
What is the InChIKey of 8-fluoro-15,24-diphenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5(10),6,8,12,17(25),18,20,22,26-dodecaene?
The InChIKey is WIEALBCSQUHVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21FN2O/c37-22-15-20-32-28(21-22)25-16-18-31-34(36(25)40-32)27-17-19-30-33(35(27)39(31)24-11-5-2-6-12-24)26-13-7-8-14-29(26)38(30)23-9-3-1-4-10-23/h1-21H.
What are the key properties of 8-fluoro-15,24-diphenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5(10),6,8,12,17(25),18,20,22,26-dodecaene?
8-fluoro-15,24-diphenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5(10),6,8,12,17(25),18,20,22,26-dodecaene has a molecular weight of 516.58 g/mol, XLogP of 9.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-15,24-diphenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5(10),6,8,12,17(25),18,20,22,26-dodecaene is sourced from PubChem (CID 126678120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).