5,9-diphenyl-14-(6-phenylnaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;6,9-diphenyl-14-(6-phenylnaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

C92H60N4 — CID 165027599

About 5,9-diphenyl-14-(6-phenylnaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;6,9-diphenyl-14-(6-phenylnaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

5,9-diphenyl-14-(6-phenylnaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;6,9-diphenyl-14-(6-phenylnaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene (PubChem CID 165027599) has the molecular formula C92H60N4 and a molecular weight of 1221.52 g/mol. Its IUPAC name is 5,9-diphenyl-14-(6-phenylnaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;6,9-diphenyl-14-(6-phenylnaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 5,9-diphenyl-14-(6-phenylnaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;6,9-diphenyl-14-(6-phenylnaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
• PubChem CID: 165027599
• Molecular Formula: C92H60N4
• Molecular Weight: 1221.52 g/mol
• Exact Mass: 1220.48
• IUPAC Name: 5,9-diphenyl-14-(6-phenylnaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;6,9-diphenyl-14-(6-phenylnaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
• SMILES: c1ccc(-c2ccc3cc(-n4c5ccccc5c5c6c7cc(-c8ccccc8)ccc7n(-c7ccccc7)c6ccc54)ccc3c2)cc1.c1ccc(-c2ccc3cc(-n4c5ccccc5c5c6c7ccc(-c8ccccc8)cc7n(-c7ccccc7)c6ccc54)ccc3c2)cc1
• InChI: InChI=1S/2C46H30N2/c1-4-12-31(13-5-1)33-20-21-35-29-38(24-22-34(35)28-33)48-41-19-11-10-18-39(41)45-43(48)26-27-44-46(45)40-30-36(32-14-6-2-7-15-32)23-25-42(40)47(44)37-16-8-3-9-17-37;1-4-12-31(13-5-1)33-20-21-35-29-38(24-22-34(35)28-33)48-41-19-11-10-18-39(41)45-43(48)27-26-42-46(45)40-25-23-36(32-14-6-2-7-15-32)30-44(40)47(42)37-16-8-3-9-17-37/h2*1-30H
• InChIKey: MDFNIJYQMKTHJF-UHFFFAOYSA-N
• XLogP: 24.74
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1221.52
LogP ≤ 5	24.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5,9-diphenyl-14-(6-phenylnaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;6,9-diphenyl-14-(6-phenylnaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?

The IUPAC name of 5,9-diphenyl-14-(6-phenylnaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;6,9-diphenyl-14-(6-phenylnaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene (CID 165027599) is 5,9-diphenyl-14-(6-phenylnaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;6,9-diphenyl-14-(6-phenylnaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene.

What is the SMILES notation for 5,9-diphenyl-14-(6-phenylnaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;6,9-diphenyl-14-(6-phenylnaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?

The canonical SMILES for 5,9-diphenyl-14-(6-phenylnaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;6,9-diphenyl-14-(6-phenylnaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene is c1ccc(-c2ccc3cc(-n4c5ccccc5c5c6c7cc(-c8ccccc8)ccc7n(-c7ccccc7)c6ccc54)ccc3c2)cc1.c1ccc(-c2ccc3cc(-n4c5ccccc5c5c6c7ccc(-c8ccccc8)cc7n(-c7ccccc7)c6ccc54)ccc3c2)cc1.

What is the InChIKey of 5,9-diphenyl-14-(6-phenylnaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;6,9-diphenyl-14-(6-phenylnaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?

The InChIKey is MDFNIJYQMKTHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H30N2/c1-4-12-31(13-5-1)33-20-21-35-29-38(24-22-34(35)28-33)48-41-19-11-10-18-39(41)45-43(48)26-27-44-46(45)40-30-36(32-14-6-2-7-15-32)23-25-42(40)47(44)37-16-8-3-9-17-37;1-4-12-31(13-5-1)33-20-21-35-29-38(24-22-34(35)28-33)48-41-19-11-10-18-39(41)45-43(48)27-26-42-46(45)40-25-23-36(32-14-6-2-7-15-32)30-44(40)47(42)37-16-8-3-9-17-37/h2*1-30H.

What are the key properties of 5,9-diphenyl-14-(6-phenylnaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;6,9-diphenyl-14-(6-phenylnaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?

5,9-diphenyl-14-(6-phenylnaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;6,9-diphenyl-14-(6-phenylnaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene has a molecular weight of 1221.52 g/mol, XLogP of 24.74, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5,9-diphenyl-14-(6-phenylnaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;6,9-diphenyl-14-(6-phenylnaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene is sourced from PubChem (CID 165027599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).