12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene-16-carbonitrile;3-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl)-4-methylbenzonitrile;12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl(trimethyl)silane;16-(4-tert-butylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene;16-methyl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene;16-phenanthren-2-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene

C169H112N8Si — CID 157069405

About 12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene-16-carbonitrile;3-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl)-4-methylbenzonitrile;12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl(trimethyl)silane;16-(4-tert-butylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene;16-methyl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene;16-phenanthren-2-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene

12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene-16-carbonitrile;3-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl)-4-methylbenzonitrile;12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl(trimethyl)silane;16-(4-tert-butylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene;16-methyl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene;16-phenanthren-2-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene (PubChem CID 157069405) has the molecular formula C169H112N8Si and a molecular weight of 2282.90 g/mol. Its IUPAC name is 12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene-16-carbonitrile;3-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl)-4-methylbenzonitrile;12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl(trimethyl)silane;16-(4-tert-butylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene;16-methyl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene;16-phenanthren-2-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene.

Molecular Properties

• Compound Name: 12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene-16-carbonitrile;3-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl)-4-methylbenzonitrile;12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl(trimethyl)silane;16-(4-tert-butylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene;16-methyl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene;16-phenanthren-2-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene
• PubChem CID: 157069405
• Molecular Formula: C169H112N8Si
• Molecular Weight: 2282.90 g/mol
• Exact Mass: 2280.88
• IUPAC Name: 12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene-16-carbonitrile;3-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl)-4-methylbenzonitrile;12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl(trimethyl)silane;16-(4-tert-butylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene;16-methyl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene;16-phenanthren-2-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene
• SMILES: CC(C)(C)c1ccc(-c2ccc3c(c2)c2cccc4c5c6ccccc6ccc5n3c24)cc1.C[Si](C)(C)c1ccc2c(c1)c1cccc3c4c5ccccc5ccc4n2c13.Cc1ccc(C#N)cc1-c1ccc2c(c1)c1cccc3c4c5ccccc5ccc4n2c13.Cc1ccc2c(c1)c1cccc3c4c5ccccc5ccc4n2c13.N#Cc1ccc2c(c1)c1cccc3c4c5ccccc5ccc4n2c13.c1ccc2c(c1)ccc1cc(-c3ccc4c(c3)c3cccc5c6c7ccccc7ccc6n4c35)ccc12
• InChI: InChI=1S/C36H21N.C32H25N.C30H18N2.C25H21NSi.C23H12N2.C23H15N/c1-3-8-27-22(6-1)12-13-26-20-24(14-17-28(26)27)25-16-18-33-32(21-25)30-10-5-11-31-35-29-9-4-2-7-23(29)15-19-34(35)37(33)36(30)31;1-32(2,3)23-15-11-20(12-16-23)22-14-17-28-27(19-22)25-9-6-10-26-30-24-8-5-4-7-21(24)13-18-29(30)33(28)31(25)26;1-18-9-10-19(17-31)15-25(18)21-12-13-27-26(16-21)23-7-4-8-24-29-22-6-3-2-5-20(22)11-14-28(29)32(27)30(23)24;1-27(2,3)17-12-14-22-21(15-17)19-9-6-10-20-24-18-8-5-4-7-16(18)11-13-23(24)26(22)25(19)20;24-13-14-8-10-20-19(12-14)17-6-3-7-18-22-16-5-2-1-4-15(16)9-11-21(22)25(20)23(17)18;1-14-9-11-20-19(13-14)17-7-4-8-18-22-16-6-3-2-5-15(16)10-12-21(22)24(20)23(17)18/h1-21H;4-19H,1-3H3;2-16H,1H3;4-15H,1-3H3;1-12H;2-13H,1H3
• InChIKey: ACGCRSUUGUSFRU-UHFFFAOYSA-N
• XLogP: 45.45
• TPSA: 74.04 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2282.90
LogP ≤ 5	45.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene-16-carbonitrile;3-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl)-4-methylbenzonitrile;12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl(trimethyl)silane;16-(4-tert-butylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene;16-methyl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene;16-phenanthren-2-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene?

The IUPAC name of 12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene-16-carbonitrile;3-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl)-4-methylbenzonitrile;12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl(trimethyl)silane;16-(4-tert-butylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene;16-methyl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene;16-phenanthren-2-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene (CID 157069405) is 12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene-16-carbonitrile;3-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl)-4-methylbenzonitrile;12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl(trimethyl)silane;16-(4-tert-butylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene;16-methyl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene;16-phenanthren-2-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene.

What is the SMILES notation for 12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene-16-carbonitrile;3-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl)-4-methylbenzonitrile;12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl(trimethyl)silane;16-(4-tert-butylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene;16-methyl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene;16-phenanthren-2-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene?

The canonical SMILES for 12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene-16-carbonitrile;3-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl)-4-methylbenzonitrile;12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl(trimethyl)silane;16-(4-tert-butylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene;16-methyl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene;16-phenanthren-2-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene is CC(C)(C)c1ccc(-c2ccc3c(c2)c2cccc4c5c6ccccc6ccc5n3c24)cc1.C[Si](C)(C)c1ccc2c(c1)c1cccc3c4c5ccccc5ccc4n2c13.Cc1ccc(C#N)cc1-c1ccc2c(c1)c1cccc3c4c5ccccc5ccc4n2c13.Cc1ccc2c(c1)c1cccc3c4c5ccccc5ccc4n2c13.N#Cc1ccc2c(c1)c1cccc3c4c5ccccc5ccc4n2c13.c1ccc2c(c1)ccc1cc(-c3ccc4c(c3)c3cccc5c6c7ccccc7ccc6n4c35)ccc12.

What is the InChIKey of 12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene-16-carbonitrile;3-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl)-4-methylbenzonitrile;12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl(trimethyl)silane;16-(4-tert-butylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene;16-methyl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene;16-phenanthren-2-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene?

The InChIKey is ACGCRSUUGUSFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21N.C32H25N.C30H18N2.C25H21NSi.C23H12N2.C23H15N/c1-3-8-27-22(6-1)12-13-26-20-24(14-17-28(26)27)25-16-18-33-32(21-25)30-10-5-11-31-35-29-9-4-2-7-23(29)15-19-34(35)37(33)36(30)31;1-32(2,3)23-15-11-20(12-16-23)22-14-17-28-27(19-22)25-9-6-10-26-30-24-8-5-4-7-21(24)13-18-29(30)33(28)31(25)26;1-18-9-10-19(17-31)15-25(18)21-12-13-27-26(16-21)23-7-4-8-24-29-22-6-3-2-5-20(22)11-14-28(29)32(27)30(23)24;1-27(2,3)17-12-14-22-21(15-17)19-9-6-10-20-24-18-8-5-4-7-16(18)11-13-23(24)26(22)25(19)20;24-13-14-8-10-20-19(12-14)17-6-3-7-18-22-16-5-2-1-4-15(16)9-11-21(22)25(20)23(17)18;1-14-9-11-20-19(13-14)17-7-4-8-18-22-16-6-3-2-5-15(16)10-12-21(22)24(20)23(17)18/h1-21H;4-19H,1-3H3;2-16H,1H3;4-15H,1-3H3;1-12H;2-13H,1H3.

What are the key properties of 12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene-16-carbonitrile;3-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl)-4-methylbenzonitrile;12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl(trimethyl)silane;16-(4-tert-butylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene;16-methyl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene;16-phenanthren-2-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene?

12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene-16-carbonitrile;3-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl)-4-methylbenzonitrile;12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl(trimethyl)silane;16-(4-tert-butylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene;16-methyl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene;16-phenanthren-2-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene has a molecular weight of 2282.90 g/mol, XLogP of 45.45, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene-16-carbonitrile;3-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl)-4-methylbenzonitrile;12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaen-16-yl(trimethyl)silane;16-(4-tert-butylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene;16-methyl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene;16-phenanthren-2-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene is sourced from PubChem (CID 157069405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).