8,8,14,14,22,22-hexamethyl-11-(4-phenylnaphthalen-1-yl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16-octaene

C43H39N — CID 70885309

About 8,8,14,14,22,22-hexamethyl-11-(4-phenylnaphthalen-1-yl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16-octaene

8,8,14,14,22,22-hexamethyl-11-(4-phenylnaphthalen-1-yl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16-octaene (PubChem CID 70885309) has the molecular formula C43H39N and a molecular weight of 569.79 g/mol. Its IUPAC name is 8,8,14,14,22,22-hexamethyl-11-(4-phenylnaphthalen-1-yl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16-octaene.

Molecular Properties

• Compound Name: 8,8,14,14,22,22-hexamethyl-11-(4-phenylnaphthalen-1-yl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16-octaene
• PubChem CID: 70885309
• Molecular Formula: C43H39N
• Molecular Weight: 569.79 g/mol
• Exact Mass: 569.31
• IUPAC Name: 8,8,14,14,22,22-hexamethyl-11-(4-phenylnaphthalen-1-yl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16-octaene
• SMILES: CC1(C)C2=C3C(CC=C2)C(C)(C)c2cccc4c2N3c2c1cc(-c1ccc(-c3ccccc3)c3ccccc13)cc2C4(C)C
• InChI: InChI=1S/C43H39N/c1-41(2)32-18-12-20-34-38(32)44-39-33(41)19-13-21-35(39)43(5,6)37-25-27(24-36(40(37)44)42(34,3)4)29-23-22-28(26-14-8-7-9-15-26)30-16-10-11-17-31(29)30/h7-18,20-25,33H,19H2,1-6H3
• InChIKey: AKPXVDUHYPNPBS-UHFFFAOYSA-N
• XLogP: 11.36
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.79
LogP ≤ 5	11.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 8,8,14,14,22,22-hexamethyl-11-(4-phenylnaphthalen-1-yl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16-octaene?

The IUPAC name of 8,8,14,14,22,22-hexamethyl-11-(4-phenylnaphthalen-1-yl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16-octaene (CID 70885309) is 8,8,14,14,22,22-hexamethyl-11-(4-phenylnaphthalen-1-yl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16-octaene.

What is the SMILES notation for 8,8,14,14,22,22-hexamethyl-11-(4-phenylnaphthalen-1-yl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16-octaene?

The canonical SMILES for 8,8,14,14,22,22-hexamethyl-11-(4-phenylnaphthalen-1-yl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16-octaene is CC1(C)C2=C3C(CC=C2)C(C)(C)c2cccc4c2N3c2c1cc(-c1ccc(-c3ccccc3)c3ccccc13)cc2C4(C)C.

What is the InChIKey of 8,8,14,14,22,22-hexamethyl-11-(4-phenylnaphthalen-1-yl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16-octaene?

The InChIKey is AKPXVDUHYPNPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H39N/c1-41(2)32-18-12-20-34-38(32)44-39-33(41)19-13-21-35(39)43(5,6)37-25-27(24-36(40(37)44)42(34,3)4)29-23-22-28(26-14-8-7-9-15-26)30-16-10-11-17-31(29)30/h7-18,20-25,33H,19H2,1-6H3.

What are the key properties of 8,8,14,14,22,22-hexamethyl-11-(4-phenylnaphthalen-1-yl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16-octaene?

8,8,14,14,22,22-hexamethyl-11-(4-phenylnaphthalen-1-yl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16-octaene has a molecular weight of 569.79 g/mol, XLogP of 11.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 8,8,14,14,22,22-hexamethyl-11-(4-phenylnaphthalen-1-yl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16-octaene is sourced from PubChem (CID 70885309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).