8,8,14,14,22,22-hexamethyl-5-(4-naphthalen-1-ylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene

C43H37N — CID 91355361

About 8,8,14,14,22,22-hexamethyl-5-(4-naphthalen-1-ylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene

8,8,14,14,22,22-hexamethyl-5-(4-naphthalen-1-ylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene (PubChem CID 91355361) has the molecular formula C43H37N and a molecular weight of 567.78 g/mol. Its IUPAC name is 8,8,14,14,22,22-hexamethyl-5-(4-naphthalen-1-ylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene.

Molecular Properties

• Compound Name: 8,8,14,14,22,22-hexamethyl-5-(4-naphthalen-1-ylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
• PubChem CID: 91355361
• Molecular Formula: C43H37N
• Molecular Weight: 567.78 g/mol
• Exact Mass: 567.29
• IUPAC Name: 8,8,14,14,22,22-hexamethyl-5-(4-naphthalen-1-ylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
• SMILES: CC1(C)c2cccc3c2N2c4c1cccc4C(C)(C)c1cc(-c4ccc(-c5cccc6ccccc56)cc4)cc(c12)C3(C)C
• InChI: InChI=1S/C43H37N/c1-41(2)32-16-10-18-34-38(32)44-39-33(41)17-11-19-35(39)43(5,6)37-25-29(24-36(40(37)44)42(34,3)4)26-20-22-28(23-21-26)31-15-9-13-27-12-7-8-14-30(27)31/h7-25H,1-6H3
• InChIKey: HFUHBHCYWWYORV-UHFFFAOYSA-N
• XLogP: 11.56
• 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	567.78
LogP ≤ 5	11.56
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-5-(4-naphthalen-1-ylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene?

The IUPAC name of 8,8,14,14,22,22-hexamethyl-5-(4-naphthalen-1-ylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene (CID 91355361) is 8,8,14,14,22,22-hexamethyl-5-(4-naphthalen-1-ylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene.

What is the SMILES notation for 8,8,14,14,22,22-hexamethyl-5-(4-naphthalen-1-ylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene?

The canonical SMILES for 8,8,14,14,22,22-hexamethyl-5-(4-naphthalen-1-ylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene is CC1(C)c2cccc3c2N2c4c1cccc4C(C)(C)c1cc(-c4ccc(-c5cccc6ccccc56)cc4)cc(c12)C3(C)C.

What is the InChIKey of 8,8,14,14,22,22-hexamethyl-5-(4-naphthalen-1-ylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene?

The InChIKey is HFUHBHCYWWYORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H37N/c1-41(2)32-16-10-18-34-38(32)44-39-33(41)17-11-19-35(39)43(5,6)37-25-29(24-36(40(37)44)42(34,3)4)26-20-22-28(23-21-26)31-15-9-13-27-12-7-8-14-30(27)31/h7-25H,1-6H3.

What are the key properties of 8,8,14,14,22,22-hexamethyl-5-(4-naphthalen-1-ylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene?

8,8,14,14,22,22-hexamethyl-5-(4-naphthalen-1-ylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene has a molecular weight of 567.78 g/mol, XLogP of 11.56, 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-5-(4-naphthalen-1-ylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene is sourced from PubChem (CID 91355361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).