11-cyclopentyl-4,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;8,8-dimethyl-11-propan-2-yl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(2,2-dimethylpropyl)-7,7-dimethylbenzo[a]phenalene;11-(2,2-dimethylpropyl)-4,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;7,7,10-trimethyl-5-propan-2-ylbenzo[e]perimidine

C114H121N5 — CID 161189720

About 11-cyclopentyl-4,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;8,8-dimethyl-11-propan-2-yl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(2,2-dimethylpropyl)-7,7-dimethylbenzo[a]phenalene;11-(2,2-dimethylpropyl)-4,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;7,7,10-trimethyl-5-propan-2-ylbenzo[e]perimidine

11-cyclopentyl-4,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;8,8-dimethyl-11-propan-2-yl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(2,2-dimethylpropyl)-7,7-dimethylbenzo[a]phenalene;11-(2,2-dimethylpropyl)-4,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;7,7,10-trimethyl-5-propan-2-ylbenzo[e]perimidine (PubChem CID 161189720) has the molecular formula C114H121N5 and a molecular weight of 1561.26 g/mol. Its IUPAC name is 11-cyclopentyl-4,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;8,8-dimethyl-11-propan-2-yl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(2,2-dimethylpropyl)-7,7-dimethylbenzo[a]phenalene;11-(2,2-dimethylpropyl)-4,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;7,7,10-trimethyl-5-propan-2-ylbenzo[e]perimidine.

Molecular Properties

• Compound Name: 11-cyclopentyl-4,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;8,8-dimethyl-11-propan-2-yl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(2,2-dimethylpropyl)-7,7-dimethylbenzo[a]phenalene;11-(2,2-dimethylpropyl)-4,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;7,7,10-trimethyl-5-propan-2-ylbenzo[e]perimidine
• PubChem CID: 161189720
• Molecular Formula: C114H121N5
• Molecular Weight: 1561.26 g/mol
• Exact Mass: 1559.96
• IUPAC Name: 11-cyclopentyl-4,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;8,8-dimethyl-11-propan-2-yl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(2,2-dimethylpropyl)-7,7-dimethylbenzo[a]phenalene;11-(2,2-dimethylpropyl)-4,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;7,7,10-trimethyl-5-propan-2-ylbenzo[e]perimidine
• SMILES: CC(C)(C)Cc1cc2c3c(cccc3c1)-c1ccccc1C2(C)C.CC(C)c1cc2c3c(ccnc3c1)-c1ccccc1C2(C)C.Cc1ccc2c(c1)-c1nccc3cc(C4CCCC4)cc(c13)C2(C)C.Cc1ccc2c(c1)-c1nccc3cc(CC(C)(C)C)cc(c13)C2(C)C.Cc1ccc2c(c1)-c1ncnc3cc(C(C)C)cc(c13)C2(C)C
• InChI: InChI=1S/C24H25N.C24H27N.C24H26.C21H22N2.C21H21N/c1-15-8-9-20-19(12-15)23-22-17(10-11-25-23)13-18(16-6-4-5-7-16)14-21(22)24(20,2)3;1-15-7-8-19-18(11-15)22-21-17(9-10-25-22)12-16(14-23(2,3)4)13-20(21)24(19,5)6;1-23(2,3)15-16-13-17-9-8-11-19-18-10-6-7-12-20(18)24(4,5)21(14-16)22(17)19;1-12(2)14-9-17-19-18(10-14)22-11-23-20(19)15-8-13(3)6-7-16(15)21(17,4)5;1-13(2)14-11-18-20-16(9-10-22-19(20)12-14)15-7-5-6-8-17(15)21(18,3)4/h8-14,16H,4-7H2,1-3H3;7-13H,14H2,1-6H3;6-14H,15H2,1-5H3;6-12H,1-5H3;5-13H,1-4H3
• InChIKey: UTOBYGKGFXCCHV-UHFFFAOYSA-N
• XLogP: 30.71
• TPSA: 64.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1561.26
LogP ≤ 5	30.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 11-cyclopentyl-4,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;8,8-dimethyl-11-propan-2-yl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(2,2-dimethylpropyl)-7,7-dimethylbenzo[a]phenalene;11-(2,2-dimethylpropyl)-4,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;7,7,10-trimethyl-5-propan-2-ylbenzo[e]perimidine?

The IUPAC name of 11-cyclopentyl-4,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;8,8-dimethyl-11-propan-2-yl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(2,2-dimethylpropyl)-7,7-dimethylbenzo[a]phenalene;11-(2,2-dimethylpropyl)-4,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;7,7,10-trimethyl-5-propan-2-ylbenzo[e]perimidine (CID 161189720) is 11-cyclopentyl-4,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;8,8-dimethyl-11-propan-2-yl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(2,2-dimethylpropyl)-7,7-dimethylbenzo[a]phenalene;11-(2,2-dimethylpropyl)-4,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;7,7,10-trimethyl-5-propan-2-ylbenzo[e]perimidine.

What is the SMILES notation for 11-cyclopentyl-4,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;8,8-dimethyl-11-propan-2-yl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(2,2-dimethylpropyl)-7,7-dimethylbenzo[a]phenalene;11-(2,2-dimethylpropyl)-4,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;7,7,10-trimethyl-5-propan-2-ylbenzo[e]perimidine?

The canonical SMILES for 11-cyclopentyl-4,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;8,8-dimethyl-11-propan-2-yl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(2,2-dimethylpropyl)-7,7-dimethylbenzo[a]phenalene;11-(2,2-dimethylpropyl)-4,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;7,7,10-trimethyl-5-propan-2-ylbenzo[e]perimidine is CC(C)(C)Cc1cc2c3c(cccc3c1)-c1ccccc1C2(C)C.CC(C)c1cc2c3c(ccnc3c1)-c1ccccc1C2(C)C.Cc1ccc2c(c1)-c1nccc3cc(C4CCCC4)cc(c13)C2(C)C.Cc1ccc2c(c1)-c1nccc3cc(CC(C)(C)C)cc(c13)C2(C)C.Cc1ccc2c(c1)-c1ncnc3cc(C(C)C)cc(c13)C2(C)C.

What is the InChIKey of 11-cyclopentyl-4,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;8,8-dimethyl-11-propan-2-yl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(2,2-dimethylpropyl)-7,7-dimethylbenzo[a]phenalene;11-(2,2-dimethylpropyl)-4,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;7,7,10-trimethyl-5-propan-2-ylbenzo[e]perimidine?

The InChIKey is UTOBYGKGFXCCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N.C24H27N.C24H26.C21H22N2.C21H21N/c1-15-8-9-20-19(12-15)23-22-17(10-11-25-23)13-18(16-6-4-5-7-16)14-21(22)24(20,2)3;1-15-7-8-19-18(11-15)22-21-17(9-10-25-22)12-16(14-23(2,3)4)13-20(21)24(19,5)6;1-23(2,3)15-16-13-17-9-8-11-19-18-10-6-7-12-20(18)24(4,5)21(14-16)22(17)19;1-12(2)14-9-17-19-18(10-14)22-11-23-20(19)15-8-13(3)6-7-16(15)21(17,4)5;1-13(2)14-11-18-20-16(9-10-22-19(20)12-14)15-7-5-6-8-17(15)21(18,3)4/h8-14,16H,4-7H2,1-3H3;7-13H,14H2,1-6H3;6-14H,15H2,1-5H3;6-12H,1-5H3;5-13H,1-4H3.

What are the key properties of 11-cyclopentyl-4,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;8,8-dimethyl-11-propan-2-yl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(2,2-dimethylpropyl)-7,7-dimethylbenzo[a]phenalene;11-(2,2-dimethylpropyl)-4,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;7,7,10-trimethyl-5-propan-2-ylbenzo[e]perimidine?

11-cyclopentyl-4,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;8,8-dimethyl-11-propan-2-yl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(2,2-dimethylpropyl)-7,7-dimethylbenzo[a]phenalene;11-(2,2-dimethylpropyl)-4,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;7,7,10-trimethyl-5-propan-2-ylbenzo[e]perimidine has a molecular weight of 1561.26 g/mol, XLogP of 30.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 11-cyclopentyl-4,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;8,8-dimethyl-11-propan-2-yl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(2,2-dimethylpropyl)-7,7-dimethylbenzo[a]phenalene;11-(2,2-dimethylpropyl)-4,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;7,7,10-trimethyl-5-propan-2-ylbenzo[e]perimidine is sourced from PubChem (CID 161189720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).