8,8,14,14-tetramethyl-5,17-bis(3-phenylphenyl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene

C48H37N — CID 70893126

About 8,8,14,14-tetramethyl-5,17-bis(3-phenylphenyl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene

8,8,14,14-tetramethyl-5,17-bis(3-phenylphenyl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene (PubChem CID 70893126) has the molecular formula C48H37N and a molecular weight of 627.83 g/mol. Its IUPAC name is 8,8,14,14-tetramethyl-5,17-bis(3-phenylphenyl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene.

Molecular Properties

• Compound Name: 8,8,14,14-tetramethyl-5,17-bis(3-phenylphenyl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
• PubChem CID: 70893126
• Molecular Formula: C48H37N
• Molecular Weight: 627.83 g/mol
• Exact Mass: 627.29
• IUPAC Name: 8,8,14,14-tetramethyl-5,17-bis(3-phenylphenyl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
• SMILES: CC1(C)c2cccc3c2-n2c4c1cc(-c1cccc(-c5ccccc5)c1)cc4c1cc(-c4cccc(-c5ccccc5)c4)cc(c12)C3(C)C
• InChI: InChI=1S/C48H37N/c1-47(2)40-22-13-23-41-46(40)49-44-38(26-36(28-42(44)47)34-20-11-18-32(24-34)30-14-7-5-8-15-30)39-27-37(29-43(45(39)49)48(41,3)4)35-21-12-19-33(25-35)31-16-9-6-10-17-31/h5-29H,1-4H3
• InChIKey: WSGAKDMQFCECKD-UHFFFAOYSA-N
• XLogP: 12.73
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	627.83
LogP ≤ 5	12.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 8,8,14,14-tetramethyl-5,17-bis(3-phenylphenyl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene?

The IUPAC name of 8,8,14,14-tetramethyl-5,17-bis(3-phenylphenyl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene (CID 70893126) is 8,8,14,14-tetramethyl-5,17-bis(3-phenylphenyl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene.

What is the SMILES notation for 8,8,14,14-tetramethyl-5,17-bis(3-phenylphenyl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene?

The canonical SMILES for 8,8,14,14-tetramethyl-5,17-bis(3-phenylphenyl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene is CC1(C)c2cccc3c2-n2c4c1cc(-c1cccc(-c5ccccc5)c1)cc4c1cc(-c4cccc(-c5ccccc5)c4)cc(c12)C3(C)C.

What is the InChIKey of 8,8,14,14-tetramethyl-5,17-bis(3-phenylphenyl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene?

The InChIKey is WSGAKDMQFCECKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H37N/c1-47(2)40-22-13-23-41-46(40)49-44-38(26-36(28-42(44)47)34-20-11-18-32(24-34)30-14-7-5-8-15-30)39-27-37(29-43(45(39)49)48(41,3)4)35-21-12-19-33(25-35)31-16-9-6-10-17-31/h5-29H,1-4H3.

What are the key properties of 8,8,14,14-tetramethyl-5,17-bis(3-phenylphenyl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene?

8,8,14,14-tetramethyl-5,17-bis(3-phenylphenyl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene has a molecular weight of 627.83 g/mol, XLogP of 12.73, 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-tetramethyl-5,17-bis(3-phenylphenyl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene is sourced from PubChem (CID 70893126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).