8,8,14,14,22,22-hexamethyl-5,11-bis(3-phenylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene

C51H43N — CID 70893178

About 8,8,14,14,22,22-hexamethyl-5,11-bis(3-phenylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene

8,8,14,14,22,22-hexamethyl-5,11-bis(3-phenylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene (PubChem CID 70893178) has the molecular formula C51H43N and a molecular weight of 669.91 g/mol. Its IUPAC name is 8,8,14,14,22,22-hexamethyl-5,11-bis(3-phenylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene.

Molecular Properties

• Compound Name: 8,8,14,14,22,22-hexamethyl-5,11-bis(3-phenylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
• PubChem CID: 70893178
• Molecular Formula: C51H43N
• Molecular Weight: 669.91 g/mol
• Exact Mass: 669.34
• IUPAC Name: 8,8,14,14,22,22-hexamethyl-5,11-bis(3-phenylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
• SMILES: CC1(C)c2cccc3c2N2c4c1cc(-c1cccc(-c5ccccc5)c1)cc4C(C)(C)c1cc(-c4cccc(-c5ccccc5)c4)cc(c12)C3(C)C
• InChI: InChI=1S/C51H43N/c1-49(2)40-24-15-25-41-46(40)52-47-42(49)28-38(36-22-13-20-34(26-36)32-16-9-7-10-17-32)30-44(47)51(5,6)45-31-39(29-43(48(45)52)50(41,3)4)37-23-14-21-35(27-37)33-18-11-8-12-19-33/h7-31H,1-6H3
• InChIKey: NKTBRNFSUAEGPW-UHFFFAOYSA-N
• XLogP: 13.74
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	669.91
LogP ≤ 5	13.74
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-5,11-bis(3-phenylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene?

The IUPAC name of 8,8,14,14,22,22-hexamethyl-5,11-bis(3-phenylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene (CID 70893178) is 8,8,14,14,22,22-hexamethyl-5,11-bis(3-phenylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene.

What is the SMILES notation for 8,8,14,14,22,22-hexamethyl-5,11-bis(3-phenylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene?

The canonical SMILES for 8,8,14,14,22,22-hexamethyl-5,11-bis(3-phenylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene is CC1(C)c2cccc3c2N2c4c1cc(-c1cccc(-c5ccccc5)c1)cc4C(C)(C)c1cc(-c4cccc(-c5ccccc5)c4)cc(c12)C3(C)C.

What is the InChIKey of 8,8,14,14,22,22-hexamethyl-5,11-bis(3-phenylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene?

The InChIKey is NKTBRNFSUAEGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H43N/c1-49(2)40-24-15-25-41-46(40)52-47-42(49)28-38(36-22-13-20-34(26-36)32-16-9-7-10-17-32)30-44(47)51(5,6)45-31-39(29-43(48(45)52)50(41,3)4)37-23-14-21-35(27-37)33-18-11-8-12-19-33/h7-31H,1-6H3.

What are the key properties of 8,8,14,14,22,22-hexamethyl-5,11-bis(3-phenylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene?

8,8,14,14,22,22-hexamethyl-5,11-bis(3-phenylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene has a molecular weight of 669.91 g/mol, XLogP of 13.74, 4 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-5,11-bis(3-phenylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene is sourced from PubChem (CID 70893178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).