2-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-5-phenyl-1,3,4-oxadiazole

C30H16N2O2 — CID 155404612

IUPAC2-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3cccc4oc5cc6c(cc5c34)-c3cccc4cccc-6c34)o2)cc1
InChIInChI=1S/C30H16N2O2/c1-2-7-18(8-3-1)29-31-32-30(34-29)21-13-6-14-25-28(21)24-15-22-19-11-4-9-17-10-5-12-20(27(17)19)23(22)16-26(24)33-25/h1-16H
InChIKeyGLQYIVPCCWWNMH-UHFFFAOYSA-N
MW436.47 g/mol
LogP8.10
Rot. Bonds2

About 2-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-5-phenyl-1,3,4-oxadiazole

2-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-5-phenyl-1,3,4-oxadiazole (PubChem CID 155404612) has the molecular formula C30H16N2O2 and a molecular weight of 436.47 g/mol. Its IUPAC name is 2-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-5-phenyl-1,3,4-oxadiazole
PubChem CID155404612
Molecular FormulaC30H16N2O2
Molecular Weight436.47 g/mol
Exact Mass436.12
IUPAC Name2-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3cccc4oc5cc6c(cc5c34)-c3cccc4cccc-6c34)o2)cc1
InChIInChI=1S/C30H16N2O2/c1-2-7-18(8-3-1)29-31-32-30(34-29)21-13-6-14-25-28(21)24-15-22-19-11-4-9-17-10-5-12-20(27(17)19)23(22)16-26(24)33-25/h1-16H
InChIKeyGLQYIVPCCWWNMH-UHFFFAOYSA-N
XLogP8.10
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.47
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-5-phenyl-1,3,4-oxadiazole with MolForge

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Related Compounds

2-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-4,6-diphenyl-1,3,5-triazine
CID 155404550
2-[4-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 163945090
2-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 166848208
9-[2-[4-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 163948127
2-fluoranthen-8-yl-4-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-5-yl)-6-phenyl-1,3,5-triazine
CID 166848284
2-[2,3-bis(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 102173738
2-[3-[3-(3-naphtho[2,3-b][1]benzofuran-1-ylphenyl)phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 134299618
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole
CID 167129390
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazole
CID 167128188
2-[9-(2-dibenzofuran-1-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 176773441
2-[6-(3-dibenzofuran-1-ylnaphthalen-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 164747860
2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine
CID 168731826

Frequently Asked Questions

What is the IUPAC name of 2-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-5-phenyl-1,3,4-oxadiazole (CID 155404612) is 2-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-5-phenyl-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3cccc4oc5cc6c(cc5c34)-c3cccc4cccc-6c34)o2)cc1.
What is the InChIKey of 2-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-5-phenyl-1,3,4-oxadiazole?
The InChIKey is GLQYIVPCCWWNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16N2O2/c1-2-7-18(8-3-1)29-31-32-30(34-29)21-13-6-14-25-28(21)24-15-22-19-11-4-9-17-10-5-12-20(27(17)19)23(22)16-26(24)33-25/h1-16H.
What are the key properties of 2-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-5-phenyl-1,3,4-oxadiazole?
2-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-5-phenyl-1,3,4-oxadiazole has a molecular weight of 436.47 g/mol, XLogP of 8.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 155404612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).