10'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)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]

C58H37N5 — CID 118104005

About 10'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)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'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)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 118104005) has the molecular formula C58H37N5 and a molecular weight of 803.97 g/mol. Its IUPAC name is 10'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)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'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)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: 118104005
• Molecular Formula: C58H37N5
• Molecular Weight: 803.97 g/mol
• Exact Mass: 803.30
• IUPAC Name: 10'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)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(-c2ccc(-n3c4ccccc4c4c5c(ccc43)C3(c4ccccc4-5)c4ccccc4N(c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc43)cc2)cc1
• InChI: InChI=1S/C58H37N5/c1-4-18-38(19-5-1)39-32-34-42(35-33-39)62-49-29-15-11-25-44(49)54-52(62)37-36-48-53(54)43-24-10-12-26-45(43)58(48)46-27-13-16-30-50(46)63(51-31-17-14-28-47(51)58)57-60-55(40-20-6-2-7-21-40)59-56(61-57)41-22-8-3-9-23-41/h1-37H
• InChIKey: WPBGNHGWXBIZDS-UHFFFAOYSA-N
• XLogP: 14.12
• TPSA: 46.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	803.97
LogP ≤ 5	14.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 10'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)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'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)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 118104005) is 10'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)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'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)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'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)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(-c2ccc(-n3c4ccccc4c4c5c(ccc43)C3(c4ccccc4-5)c4ccccc4N(c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc43)cc2)cc1.

What is the InChIKey of 10'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)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 WPBGNHGWXBIZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N5/c1-4-18-38(19-5-1)39-32-34-42(35-33-39)62-49-29-15-11-25-44(49)54-52(62)37-36-48-53(54)43-24-10-12-26-45(43)58(48)46-27-13-16-30-50(46)63(51-31-17-14-28-47(51)58)57-60-55(40-20-6-2-7-21-40)59-56(61-57)41-22-8-3-9-23-41/h1-37H.

What are the key properties of 10'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)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'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)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 803.97 g/mol, XLogP of 14.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)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 118104005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).