8,8,14,14-tetramethyl-4,18-diphenyl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

C35H30N2 — CID 140926242

About 8,8,14,14-tetramethyl-4,18-diphenyl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

8,8,14,14-tetramethyl-4,18-diphenyl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (PubChem CID 140926242) has the molecular formula C35H30N2 and a molecular weight of 478.64 g/mol. Its IUPAC name is 8,8,14,14-tetramethyl-4,18-diphenyl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.

Molecular Properties

• Compound Name: 8,8,14,14-tetramethyl-4,18-diphenyl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
• PubChem CID: 140926242
• Molecular Formula: C35H30N2
• Molecular Weight: 478.64 g/mol
• Exact Mass: 478.24
• IUPAC Name: 8,8,14,14-tetramethyl-4,18-diphenyl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
• SMILES: CC1(C)c2ccc(-c3ccccc3)cc2N2c3nc(-c4ccccc4)ccc3C(C)(C)c3cccc1c32
• InChI: InChI=1S/C35H30N2/c1-34(2)26-19-18-25(23-12-7-5-8-13-23)22-31(26)37-32-27(34)16-11-17-28(32)35(3,4)29-20-21-30(36-33(29)37)24-14-9-6-10-15-24/h5-22H,1-4H3
• InChIKey: UZEFTETVAJWBAQ-UHFFFAOYSA-N
• XLogP: 9.16
• TPSA: 16.13 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.64
LogP ≤ 5	9.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 8,8,14,14-tetramethyl-4,18-diphenyl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

The IUPAC name of 8,8,14,14-tetramethyl-4,18-diphenyl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (CID 140926242) is 8,8,14,14-tetramethyl-4,18-diphenyl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.

What is the SMILES notation for 8,8,14,14-tetramethyl-4,18-diphenyl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

The canonical SMILES for 8,8,14,14-tetramethyl-4,18-diphenyl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is CC1(C)c2ccc(-c3ccccc3)cc2N2c3nc(-c4ccccc4)ccc3C(C)(C)c3cccc1c32.

What is the InChIKey of 8,8,14,14-tetramethyl-4,18-diphenyl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

The InChIKey is UZEFTETVAJWBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30N2/c1-34(2)26-19-18-25(23-12-7-5-8-13-23)22-31(26)37-32-27(34)16-11-17-28(32)35(3,4)29-20-21-30(36-33(29)37)24-14-9-6-10-15-24/h5-22H,1-4H3.

What are the key properties of 8,8,14,14-tetramethyl-4,18-diphenyl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

8,8,14,14-tetramethyl-4,18-diphenyl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene has a molecular weight of 478.64 g/mol, XLogP of 9.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 8,8,14,14-tetramethyl-4,18-diphenyl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is sourced from PubChem (CID 140926242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).