8,8,14,14-tetramethyl-17-(6-phenylnaphthalen-2-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),18-octaene

C40H35N — CID 70885473

About 8,8,14,14-tetramethyl-17-(6-phenylnaphthalen-2-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),18-octaene

8,8,14,14-tetramethyl-17-(6-phenylnaphthalen-2-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),18-octaene (PubChem CID 70885473) has the molecular formula C40H35N and a molecular weight of 529.73 g/mol. Its IUPAC name is 8,8,14,14-tetramethyl-17-(6-phenylnaphthalen-2-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),18-octaene.

Molecular Properties

• Compound Name: 8,8,14,14-tetramethyl-17-(6-phenylnaphthalen-2-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),18-octaene
• PubChem CID: 70885473
• Molecular Formula: C40H35N
• Molecular Weight: 529.73 g/mol
• Exact Mass: 529.28
• IUPAC Name: 8,8,14,14-tetramethyl-17-(6-phenylnaphthalen-2-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),18-octaene
• SMILES: CC1(C)C2=C(C=CC(c3ccc4cc(-c5ccccc5)ccc4c3)C2)N2c3ccccc3C(C)(C)c3cccc1c32
• InChI: InChI=1S/C40H35N/c1-39(2)32-13-8-9-16-36(32)41-37-22-21-31(25-35(37)40(3,4)34-15-10-14-33(39)38(34)41)30-20-19-28-23-27(17-18-29(28)24-30)26-11-6-5-7-12-26/h5-24,31H,25H2,1-4H3
• InChIKey: NMJAREZTNACTAN-UHFFFAOYSA-N
• XLogP: 10.57
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.73
LogP ≤ 5	10.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 8,8,14,14-tetramethyl-17-(6-phenylnaphthalen-2-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),18-octaene?

The IUPAC name of 8,8,14,14-tetramethyl-17-(6-phenylnaphthalen-2-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),18-octaene (CID 70885473) is 8,8,14,14-tetramethyl-17-(6-phenylnaphthalen-2-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),18-octaene.

What is the SMILES notation for 8,8,14,14-tetramethyl-17-(6-phenylnaphthalen-2-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),18-octaene?

The canonical SMILES for 8,8,14,14-tetramethyl-17-(6-phenylnaphthalen-2-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),18-octaene is CC1(C)C2=C(C=CC(c3ccc4cc(-c5ccccc5)ccc4c3)C2)N2c3ccccc3C(C)(C)c3cccc1c32.

What is the InChIKey of 8,8,14,14-tetramethyl-17-(6-phenylnaphthalen-2-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),18-octaene?

The InChIKey is NMJAREZTNACTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H35N/c1-39(2)32-13-8-9-16-36(32)41-37-22-21-31(25-35(37)40(3,4)34-15-10-14-33(39)38(34)41)30-20-19-28-23-27(17-18-29(28)24-30)26-11-6-5-7-12-26/h5-24,31H,25H2,1-4H3.

What are the key properties of 8,8,14,14-tetramethyl-17-(6-phenylnaphthalen-2-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),18-octaene?

8,8,14,14-tetramethyl-17-(6-phenylnaphthalen-2-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),18-octaene has a molecular weight of 529.73 g/mol, XLogP of 10.57, 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-tetramethyl-17-(6-phenylnaphthalen-2-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),18-octaene is sourced from PubChem (CID 70885473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).