15-chloro-11-[2-(4-chlorophenyl)ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene;15-chloro-11-[2-(4-methoxyphenyl)ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene;15-chloro-11-[2-[4-(trifluoromethyl)phenyl]ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene;14-methyl-10-(2-pyridin-4-ylethyl)-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene

C89H96Cl4F3N13O — CID 160709938

About 15-chloro-11-[2-(4-chlorophenyl)ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene;15-chloro-11-[2-(4-methoxyphenyl)ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene;15-chloro-11-[2-[4-(trifluoromethyl)phenyl]ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene;14-methyl-10-(2-pyridin-4-ylethyl)-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene

15-chloro-11-[2-(4-chlorophenyl)ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene;15-chloro-11-[2-(4-methoxyphenyl)ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene;15-chloro-11-[2-[4-(trifluoromethyl)phenyl]ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene;14-methyl-10-(2-pyridin-4-ylethyl)-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene (PubChem CID 160709938) has the molecular formula C89H96Cl4F3N13O and a molecular weight of 1562.64 g/mol. Its IUPAC name is 15-chloro-11-[2-(4-chlorophenyl)ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene;15-chloro-11-[2-(4-methoxyphenyl)ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene;15-chloro-11-[2-[4-(trifluoromethyl)phenyl]ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene;14-methyl-10-(2-pyridin-4-ylethyl)-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene.

Molecular Properties

• Compound Name: 15-chloro-11-[2-(4-chlorophenyl)ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene;15-chloro-11-[2-(4-methoxyphenyl)ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene;15-chloro-11-[2-[4-(trifluoromethyl)phenyl]ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene;14-methyl-10-(2-pyridin-4-ylethyl)-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
• PubChem CID: 160709938
• Molecular Formula: C89H96Cl4F3N13O
• Molecular Weight: 1562.64 g/mol
• Exact Mass: 1559.66
• IUPAC Name: 15-chloro-11-[2-(4-chlorophenyl)ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene;15-chloro-11-[2-(4-methoxyphenyl)ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene;15-chloro-11-[2-[4-(trifluoromethyl)phenyl]ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene;14-methyl-10-(2-pyridin-4-ylethyl)-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
• SMILES: COc1ccc(CCn2c3c(c4cc(Cl)cnc42)C2CCCCN2CC3)cc1.Cc1cnc2c(c1)c1c(n2CCc2ccncc2)CCN2CCCC12.Clc1ccc(CCn2c3c(c4cc(Cl)cnc42)C2CCCCN2CC3)cc1.FC(F)(F)c1ccc(CCn2c3c(c4cc(Cl)cnc42)C2CCCCN2CC3)cc1
• InChI: InChI=1S/C23H23ClF3N3.C23H26ClN3O.C22H23Cl2N3.C21H24N4/c24-17-13-18-21-19-3-1-2-10-29(19)11-9-20(21)30(22(18)28-14-17)12-8-15-4-6-16(7-5-15)23(25,26)27;1-28-18-7-5-16(6-8-18)9-13-27-21-10-12-26-11-3-2-4-20(26)22(21)19-14-17(24)15-25-23(19)27;23-16-6-4-15(5-7-16)8-12-27-20-9-11-26-10-2-1-3-19(26)21(20)18-13-17(24)14-25-22(18)27;1-15-13-17-20-18-3-2-10-24(18)11-7-19(20)25(21(17)23-14-15)12-6-16-4-8-22-9-5-16/h4-7,13-14,19H,1-3,8-12H2;5-8,14-15,20H,2-4,9-13H2,1H3;4-7,13-14,19H,1-3,8-12H2;4-5,8-9,13-14,18H,2-3,6-7,10-12H2,1H3
• InChIKey: RRSLXIANHKORTJ-UHFFFAOYSA-N
• XLogP: 20.40
• TPSA: 106.36 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 13
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1562.64
LogP ≤ 5	20.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 15-chloro-11-[2-(4-chlorophenyl)ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene;15-chloro-11-[2-(4-methoxyphenyl)ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene;15-chloro-11-[2-[4-(trifluoromethyl)phenyl]ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene;14-methyl-10-(2-pyridin-4-ylethyl)-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?

The IUPAC name of 15-chloro-11-[2-(4-chlorophenyl)ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene;15-chloro-11-[2-(4-methoxyphenyl)ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene;15-chloro-11-[2-[4-(trifluoromethyl)phenyl]ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene;14-methyl-10-(2-pyridin-4-ylethyl)-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene (CID 160709938) is 15-chloro-11-[2-(4-chlorophenyl)ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene;15-chloro-11-[2-(4-methoxyphenyl)ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene;15-chloro-11-[2-[4-(trifluoromethyl)phenyl]ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene;14-methyl-10-(2-pyridin-4-ylethyl)-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene.

What is the SMILES notation for 15-chloro-11-[2-(4-chlorophenyl)ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene;15-chloro-11-[2-(4-methoxyphenyl)ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene;15-chloro-11-[2-[4-(trifluoromethyl)phenyl]ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene;14-methyl-10-(2-pyridin-4-ylethyl)-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?

The canonical SMILES for 15-chloro-11-[2-(4-chlorophenyl)ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene;15-chloro-11-[2-(4-methoxyphenyl)ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene;15-chloro-11-[2-[4-(trifluoromethyl)phenyl]ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene;14-methyl-10-(2-pyridin-4-ylethyl)-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene is COc1ccc(CCn2c3c(c4cc(Cl)cnc42)C2CCCCN2CC3)cc1.Cc1cnc2c(c1)c1c(n2CCc2ccncc2)CCN2CCCC12.Clc1ccc(CCn2c3c(c4cc(Cl)cnc42)C2CCCCN2CC3)cc1.FC(F)(F)c1ccc(CCn2c3c(c4cc(Cl)cnc42)C2CCCCN2CC3)cc1.

What is the InChIKey of 15-chloro-11-[2-(4-chlorophenyl)ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene;15-chloro-11-[2-(4-methoxyphenyl)ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene;15-chloro-11-[2-[4-(trifluoromethyl)phenyl]ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene;14-methyl-10-(2-pyridin-4-ylethyl)-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?

The InChIKey is RRSLXIANHKORTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF3N3.C23H26ClN3O.C22H23Cl2N3.C21H24N4/c24-17-13-18-21-19-3-1-2-10-29(19)11-9-20(21)30(22(18)28-14-17)12-8-15-4-6-16(7-5-15)23(25,26)27;1-28-18-7-5-16(6-8-18)9-13-27-21-10-12-26-11-3-2-4-20(26)22(21)19-14-17(24)15-25-23(19)27;23-16-6-4-15(5-7-16)8-12-27-20-9-11-26-10-2-1-3-19(26)21(20)18-13-17(24)14-25-22(18)27;1-15-13-17-20-18-3-2-10-24(18)11-7-19(20)25(21(17)23-14-15)12-6-16-4-8-22-9-5-16/h4-7,13-14,19H,1-3,8-12H2;5-8,14-15,20H,2-4,9-13H2,1H3;4-7,13-14,19H,1-3,8-12H2;4-5,8-9,13-14,18H,2-3,6-7,10-12H2,1H3.

What are the key properties of 15-chloro-11-[2-(4-chlorophenyl)ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene;15-chloro-11-[2-(4-methoxyphenyl)ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene;15-chloro-11-[2-[4-(trifluoromethyl)phenyl]ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene;14-methyl-10-(2-pyridin-4-ylethyl)-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?

15-chloro-11-[2-(4-chlorophenyl)ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene;15-chloro-11-[2-(4-methoxyphenyl)ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene;15-chloro-11-[2-[4-(trifluoromethyl)phenyl]ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene;14-methyl-10-(2-pyridin-4-ylethyl)-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene has a molecular weight of 1562.64 g/mol, XLogP of 20.40, 13 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 15-chloro-11-[2-(4-chlorophenyl)ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene;15-chloro-11-[2-(4-methoxyphenyl)ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene;15-chloro-11-[2-[4-(trifluoromethyl)phenyl]ethyl]-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene;14-methyl-10-(2-pyridin-4-ylethyl)-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene is sourced from PubChem (CID 160709938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).