14-[3-(9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaen-14-yl)-5-phenylphenyl]-9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene

C56H32N2O2 — CID 118480000

About 14-[3-(9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaen-14-yl)-5-phenylphenyl]-9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene

14-[3-(9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaen-14-yl)-5-phenylphenyl]-9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene (PubChem CID 118480000) has the molecular formula C56H32N2O2 and a molecular weight of 764.88 g/mol. Its IUPAC name is 14-[3-(9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaen-14-yl)-5-phenylphenyl]-9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene.

Molecular Properties

• Compound Name: 14-[3-(9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaen-14-yl)-5-phenylphenyl]-9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene
• PubChem CID: 118480000
• Molecular Formula: C56H32N2O2
• Molecular Weight: 764.88 g/mol
• Exact Mass: 764.25
• IUPAC Name: 14-[3-(9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaen-14-yl)-5-phenylphenyl]-9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene
• SMILES: c1ccc(-c2cc(-n3c4cc5ccccc5cc4c4c5c(ccc43)oc3ccccc35)cc(-n3c4cc5ccccc5cc4c4c5c(ccc43)oc3ccccc35)c2)cc1
• InChI: InChI=1S/C56H32N2O2/c1-2-12-33(13-3-1)38-26-39(57-45-22-24-51-55(41-18-8-10-20-49(41)59-51)53(45)43-28-34-14-4-6-16-36(34)30-47(43)57)32-40(27-38)58-46-23-25-52-56(42-19-9-11-21-50(42)60-52)54(46)44-29-35-15-5-7-17-37(35)31-48(44)58/h1-32H
• InChIKey: HTWMLOSRBDMZAD-UHFFFAOYSA-N
• XLogP: 15.65
• TPSA: 36.14 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	764.88
LogP ≤ 5	15.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 14-[3-(9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaen-14-yl)-5-phenylphenyl]-9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene?

The IUPAC name of 14-[3-(9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaen-14-yl)-5-phenylphenyl]-9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene (CID 118480000) is 14-[3-(9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaen-14-yl)-5-phenylphenyl]-9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene.

What is the SMILES notation for 14-[3-(9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaen-14-yl)-5-phenylphenyl]-9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene?

The canonical SMILES for 14-[3-(9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaen-14-yl)-5-phenylphenyl]-9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene is c1ccc(-c2cc(-n3c4cc5ccccc5cc4c4c5c(ccc43)oc3ccccc35)cc(-n3c4cc5ccccc5cc4c4c5c(ccc43)oc3ccccc35)c2)cc1.

What is the InChIKey of 14-[3-(9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaen-14-yl)-5-phenylphenyl]-9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene?

The InChIKey is HTWMLOSRBDMZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32N2O2/c1-2-12-33(13-3-1)38-26-39(57-45-22-24-51-55(41-18-8-10-20-49(41)59-51)53(45)43-28-34-14-4-6-16-36(34)30-47(43)57)32-40(27-38)58-46-23-25-52-56(42-19-9-11-21-50(42)60-52)54(46)44-29-35-15-5-7-17-37(35)31-48(44)58/h1-32H.

What are the key properties of 14-[3-(9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaen-14-yl)-5-phenylphenyl]-9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene?

14-[3-(9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaen-14-yl)-5-phenylphenyl]-9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene has a molecular weight of 764.88 g/mol, XLogP of 15.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[3-(9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaen-14-yl)-5-phenylphenyl]-9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene is sourced from PubChem (CID 118480000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).