10'-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine]

C64H41N5 — CID 118103988

About 10'-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine]

10'-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine] (PubChem CID 118103988) has the molecular formula C64H41N5 and a molecular weight of 880.07 g/mol. Its IUPAC name is 10'-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine].

Molecular Properties

• Compound Name: 10'-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine]
• PubChem CID: 118103988
• Molecular Formula: C64H41N5
• Molecular Weight: 880.07 g/mol
• Exact Mass: 879.34
• IUPAC Name: 10'-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine]
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(N3c4ccccc4C4(c5ccccc5-c5c4ccc4c5c5ccccc5n4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc43)c2)cc1
• InChI: InChI=1S/C64H41N5/c1-5-21-42(22-6-1)46-39-47(43-23-7-2-8-24-43)41-48(40-46)68-56-35-19-16-32-52(56)64(53-33-17-20-36-57(53)68)51-31-15-13-29-49(51)59-54(64)37-38-58-60(59)50-30-14-18-34-55(50)69(58)63-66-61(44-25-9-3-10-26-44)65-62(67-63)45-27-11-4-12-28-45/h1-41H
• InChIKey: OOIYPZXOBYZLTP-UHFFFAOYSA-N
• XLogP: 15.78
• TPSA: 46.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	880.07
LogP ≤ 5	15.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 10'-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine]?

The IUPAC name of 10'-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine] (CID 118103988) is 10'-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine].

What is the SMILES notation for 10'-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine]?

The canonical SMILES for 10'-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine] is c1ccc(-c2cc(-c3ccccc3)cc(N3c4ccccc4C4(c5ccccc5-c5c4ccc4c5c5ccccc5n4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc43)c2)cc1.

What is the InChIKey of 10'-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine]?

The InChIKey is OOIYPZXOBYZLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41N5/c1-5-21-42(22-6-1)46-39-47(43-23-7-2-8-24-43)41-48(40-46)68-56-35-19-16-32-52(56)64(53-33-17-20-36-57(53)68)51-31-15-13-29-49(51)59-54(64)37-38-58-60(59)50-30-14-18-34-55(50)69(58)63-66-61(44-25-9-3-10-26-44)65-62(67-63)45-27-11-4-12-28-45/h1-41H.

What are the key properties of 10'-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine]?

10'-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine] has a molecular weight of 880.07 g/mol, XLogP of 15.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10'-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine] is sourced from PubChem (CID 118103988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).