24-naphthalen-1-yl-9-oxa-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;24-pyridin-3-yl-9-oxa-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;24-pyridin-4-yl-9-oxa-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene

C83H48N8O3 — CID 167611738

About 24-naphthalen-1-yl-9-oxa-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;24-pyridin-3-yl-9-oxa-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;24-pyridin-4-yl-9-oxa-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene

24-naphthalen-1-yl-9-oxa-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;24-pyridin-3-yl-9-oxa-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;24-pyridin-4-yl-9-oxa-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene (PubChem CID 167611738) has the molecular formula C83H48N8O3 and a molecular weight of 1205.35 g/mol. Its IUPAC name is 24-naphthalen-1-yl-9-oxa-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;24-pyridin-3-yl-9-oxa-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;24-pyridin-4-yl-9-oxa-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene.

Molecular Properties

• Compound Name: 24-naphthalen-1-yl-9-oxa-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;24-pyridin-3-yl-9-oxa-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;24-pyridin-4-yl-9-oxa-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene
• PubChem CID: 167611738
• Molecular Formula: C83H48N8O3
• Molecular Weight: 1205.35 g/mol
• Exact Mass: 1204.38
• IUPAC Name: 24-naphthalen-1-yl-9-oxa-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;24-pyridin-3-yl-9-oxa-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;24-pyridin-4-yl-9-oxa-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene
• SMILES: c1ccc2c(-n3c4ccccc4c4c5cccnc5c5oc6ccccc6c5c43)cccc2c1.c1ccc2c(c1)oc1c3ncccc3c3c4ccccc4n(-c4ccncc4)c3c21.c1cncc(-n2c3ccccc3c3c4cccnc4c4oc5ccccc5c4c32)c1
• InChI: InChI=1S/C31H18N2O.2C26H15N3O/c1-2-11-20-19(9-1)10-7-16-24(20)33-25-15-5-3-12-21(25)27-23-14-8-18-32-29(23)31-28(30(27)33)22-13-4-6-17-26(22)34-31;1-3-11-20-17(8-1)22-19-10-6-14-28-24(19)26-23(18-9-2-4-12-21(18)30-26)25(22)29(20)16-7-5-13-27-15-16;1-3-9-20-17(6-1)22-19-8-5-13-28-24(19)26-23(18-7-2-4-10-21(18)30-26)25(22)29(20)16-11-14-27-15-12-16/h1-18H;2*1-15H
• InChIKey: LDOQWEGHFHWWCM-UHFFFAOYSA-N
• XLogP: 21.64
• TPSA: 118.66 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 3
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1205.35
LogP ≤ 5	21.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 24-naphthalen-1-yl-9-oxa-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;24-pyridin-3-yl-9-oxa-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;24-pyridin-4-yl-9-oxa-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene?

The IUPAC name of 24-naphthalen-1-yl-9-oxa-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;24-pyridin-3-yl-9-oxa-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;24-pyridin-4-yl-9-oxa-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene (CID 167611738) is 24-naphthalen-1-yl-9-oxa-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;24-pyridin-3-yl-9-oxa-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;24-pyridin-4-yl-9-oxa-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene.

What is the SMILES notation for 24-naphthalen-1-yl-9-oxa-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;24-pyridin-3-yl-9-oxa-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;24-pyridin-4-yl-9-oxa-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene?

The canonical SMILES for 24-naphthalen-1-yl-9-oxa-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;24-pyridin-3-yl-9-oxa-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;24-pyridin-4-yl-9-oxa-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene is c1ccc2c(-n3c4ccccc4c4c5cccnc5c5oc6ccccc6c5c43)cccc2c1.c1ccc2c(c1)oc1c3ncccc3c3c4ccccc4n(-c4ccncc4)c3c21.c1cncc(-n2c3ccccc3c3c4cccnc4c4oc5ccccc5c4c32)c1.

What is the InChIKey of 24-naphthalen-1-yl-9-oxa-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;24-pyridin-3-yl-9-oxa-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;24-pyridin-4-yl-9-oxa-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene?

The InChIKey is LDOQWEGHFHWWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18N2O.2C26H15N3O/c1-2-11-20-19(9-1)10-7-16-24(20)33-25-15-5-3-12-21(25)27-23-14-8-18-32-29(23)31-28(30(27)33)22-13-4-6-17-26(22)34-31;1-3-11-20-17(8-1)22-19-10-6-14-28-24(19)26-23(18-9-2-4-12-21(18)30-26)25(22)29(20)16-7-5-13-27-15-16;1-3-9-20-17(6-1)22-19-8-5-13-28-24(19)26-23(18-7-2-4-10-21(18)30-26)25(22)29(20)16-11-14-27-15-12-16/h1-18H;2*1-15H.

What are the key properties of 24-naphthalen-1-yl-9-oxa-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;24-pyridin-3-yl-9-oxa-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;24-pyridin-4-yl-9-oxa-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene?

24-naphthalen-1-yl-9-oxa-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;24-pyridin-3-yl-9-oxa-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;24-pyridin-4-yl-9-oxa-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene has a molecular weight of 1205.35 g/mol, XLogP of 21.64, 3 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 24-naphthalen-1-yl-9-oxa-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;24-pyridin-3-yl-9-oxa-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;24-pyridin-4-yl-9-oxa-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene is sourced from PubChem (CID 167611738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).