11-oxo-15-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-17-carbonitrile;11-oxo-17-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaene-15-carbonitrile;11-oxo-17-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaene-6,15-dicarbonitrile;toluene

C90H54N10O3 — CID 159720545

About 11-oxo-15-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-17-carbonitrile;11-oxo-17-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaene-15-carbonitrile;11-oxo-17-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaene-6,15-dicarbonitrile;toluene

11-oxo-15-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-17-carbonitrile;11-oxo-17-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaene-15-carbonitrile;11-oxo-17-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaene-6,15-dicarbonitrile;toluene (PubChem CID 159720545) has the molecular formula C90H54N10O3 and a molecular weight of 1323.49 g/mol. Its IUPAC name is 11-oxo-15-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-17-carbonitrile;11-oxo-17-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaene-15-carbonitrile;11-oxo-17-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaene-6,15-dicarbonitrile;toluene.

Molecular Properties

• Compound Name: 11-oxo-15-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-17-carbonitrile;11-oxo-17-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaene-15-carbonitrile;11-oxo-17-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaene-6,15-dicarbonitrile;toluene
• PubChem CID: 159720545
• Molecular Formula: C90H54N10O3
• Molecular Weight: 1323.49 g/mol
• Exact Mass: 1322.44
• IUPAC Name: 11-oxo-15-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-17-carbonitrile;11-oxo-17-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaene-15-carbonitrile;11-oxo-17-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaene-6,15-dicarbonitrile;toluene
• SMILES: Cc1ccccc1.Cc1ccccc1.N#Cc1ccc2c(=O)n3c4ccccc4nc3c3ccc(-c4ccccc4)c1c23.N#Cc1ccc2c(c1)nc1c3ccc(-c4ccccc4)c4c(C#N)ccc(c(=O)n21)c43.N#Cc1ccc2c3c1c(-c1ccccc1)ccc3c(=O)n1c3ccccc3nc21
• InChI: InChI=1S/C26H12N4O.2C25H13N3O.2C7H8/c27-13-15-6-11-22-21(12-15)29-25-19-10-9-18(16-4-2-1-3-5-16)23-17(14-28)7-8-20(24(19)23)26(31)30(22)25;26-14-16-10-11-19-23-18(13-12-17(22(16)23)15-6-2-1-3-7-15)24-27-20-8-4-5-9-21(20)28(24)25(19)29;26-14-16-10-11-18-23-19(13-12-17(22(16)23)15-6-2-1-3-7-15)25(29)28-21-9-5-4-8-20(21)27-24(18)28;2*1-7-5-3-2-4-6-7/h1-12H;2*1-13H;2*2-6H,1H3
• InChIKey: MZZBNQJVOBPPMU-UHFFFAOYSA-N
• XLogP: 19.25
• TPSA: 198.27 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 3
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1323.49
LogP ≤ 5	19.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 11-oxo-15-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-17-carbonitrile;11-oxo-17-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaene-15-carbonitrile;11-oxo-17-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaene-6,15-dicarbonitrile;toluene?

The IUPAC name of 11-oxo-15-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-17-carbonitrile;11-oxo-17-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaene-15-carbonitrile;11-oxo-17-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaene-6,15-dicarbonitrile;toluene (CID 159720545) is 11-oxo-15-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-17-carbonitrile;11-oxo-17-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaene-15-carbonitrile;11-oxo-17-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaene-6,15-dicarbonitrile;toluene.

What is the SMILES notation for 11-oxo-15-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-17-carbonitrile;11-oxo-17-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaene-15-carbonitrile;11-oxo-17-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaene-6,15-dicarbonitrile;toluene?

The canonical SMILES for 11-oxo-15-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-17-carbonitrile;11-oxo-17-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaene-15-carbonitrile;11-oxo-17-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaene-6,15-dicarbonitrile;toluene is Cc1ccccc1.Cc1ccccc1.N#Cc1ccc2c(=O)n3c4ccccc4nc3c3ccc(-c4ccccc4)c1c23.N#Cc1ccc2c(c1)nc1c3ccc(-c4ccccc4)c4c(C#N)ccc(c(=O)n21)c43.N#Cc1ccc2c3c1c(-c1ccccc1)ccc3c(=O)n1c3ccccc3nc21.

What is the InChIKey of 11-oxo-15-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-17-carbonitrile;11-oxo-17-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaene-15-carbonitrile;11-oxo-17-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaene-6,15-dicarbonitrile;toluene?

The InChIKey is MZZBNQJVOBPPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H12N4O.2C25H13N3O.2C7H8/c27-13-15-6-11-22-21(12-15)29-25-19-10-9-18(16-4-2-1-3-5-16)23-17(14-28)7-8-20(24(19)23)26(31)30(22)25;26-14-16-10-11-19-23-18(13-12-17(22(16)23)15-6-2-1-3-7-15)24-27-20-8-4-5-9-21(20)28(24)25(19)29;26-14-16-10-11-18-23-19(13-12-17(22(16)23)15-6-2-1-3-7-15)25(29)28-21-9-5-4-8-20(21)27-24(18)28;2*1-7-5-3-2-4-6-7/h1-12H;2*1-13H;2*2-6H,1H3.

What are the key properties of 11-oxo-15-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-17-carbonitrile;11-oxo-17-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaene-15-carbonitrile;11-oxo-17-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaene-6,15-dicarbonitrile;toluene?

11-oxo-15-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-17-carbonitrile;11-oxo-17-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaene-15-carbonitrile;11-oxo-17-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaene-6,15-dicarbonitrile;toluene has a molecular weight of 1323.49 g/mol, XLogP of 19.25, 3 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 11-oxo-15-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-17-carbonitrile;11-oxo-17-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaene-15-carbonitrile;11-oxo-17-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaene-6,15-dicarbonitrile;toluene is sourced from PubChem (CID 159720545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).