2-(4-chlorophenyl)-1-(15-methyl-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)propan-2-ol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol;2-(4-fluorophenyl)-1-(15-methyl-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)propan-2-ol;1-(15-methyl-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)-2-phenylpropan-2-ol

C95H108Cl2F4N12O4 — CID 157410575

About 2-(4-chlorophenyl)-1-(15-methyl-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)propan-2-ol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol;2-(4-fluorophenyl)-1-(15-methyl-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)propan-2-ol;1-(15-methyl-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)-2-phenylpropan-2-ol

2-(4-chlorophenyl)-1-(15-methyl-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)propan-2-ol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol;2-(4-fluorophenyl)-1-(15-methyl-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)propan-2-ol;1-(15-methyl-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)-2-phenylpropan-2-ol (PubChem CID 157410575) has the molecular formula C95H108Cl2F4N12O4 and a molecular weight of 1628.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(15-methyl-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)propan-2-ol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol;2-(4-fluorophenyl)-1-(15-methyl-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)propan-2-ol;1-(15-methyl-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)-2-phenylpropan-2-ol.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-1-(15-methyl-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)propan-2-ol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol;2-(4-fluorophenyl)-1-(15-methyl-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)propan-2-ol;1-(15-methyl-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)-2-phenylpropan-2-ol
• PubChem CID: 157410575
• Molecular Formula: C95H108Cl2F4N12O4
• Molecular Weight: 1628.89 g/mol
• Exact Mass: 1626.79
• IUPAC Name: 2-(4-chlorophenyl)-1-(15-methyl-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)propan-2-ol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol;2-(4-fluorophenyl)-1-(15-methyl-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)propan-2-ol;1-(15-methyl-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)-2-phenylpropan-2-ol
• SMILES: CC(O)(Cn1c2c(c3cc(Cl)cnc31)C1CCCN1CC2)c1ccc(C(F)(F)F)cc1.Cc1cnc2c(c1)c1c(n2CC(C)(O)c2ccc(Cl)cc2)CCN2CCCCC12.Cc1cnc2c(c1)c1c(n2CC(C)(O)c2ccc(F)cc2)CCN2CCCCC12.Cc1cnc2c(c1)c1c(n2CC(C)(O)c2ccccc2)CCN2CCCCC12
• InChI: InChI=1S/C24H28ClN3O.C24H28FN3O.C24H29N3O.C23H23ClF3N3O/c2*1-16-13-19-22-20-5-3-4-11-27(20)12-10-21(22)28(23(19)26-14-16)15-24(2,29)17-6-8-18(25)9-7-17;1-17-14-19-22-20-10-6-7-12-26(20)13-11-21(22)27(23(19)25-15-17)16-24(2,28)18-8-4-3-5-9-18;1-22(31,14-4-6-15(7-5-14)23(25,26)27)13-30-19-8-10-29-9-2-3-18(29)20(19)17-11-16(24)12-28-21(17)30/h2*6-9,13-14,20,29H,3-5,10-12,15H2,1-2H3;3-5,8-9,14-15,20,28H,6-7,10-13,16H2,1-2H3;4-7,11-12,18,31H,2-3,8-10,13H2,1H3
• InChIKey: BOFVPLSAOWMSRM-UHFFFAOYSA-N
• XLogP: 19.11
• TPSA: 165.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1628.89
LogP ≤ 5	19.11
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(15-methyl-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)propan-2-ol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol;2-(4-fluorophenyl)-1-(15-methyl-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)propan-2-ol;1-(15-methyl-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)-2-phenylpropan-2-ol?

The IUPAC name of 2-(4-chlorophenyl)-1-(15-methyl-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)propan-2-ol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol;2-(4-fluorophenyl)-1-(15-methyl-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)propan-2-ol;1-(15-methyl-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)-2-phenylpropan-2-ol (CID 157410575) is 2-(4-chlorophenyl)-1-(15-methyl-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)propan-2-ol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol;2-(4-fluorophenyl)-1-(15-methyl-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)propan-2-ol;1-(15-methyl-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)-2-phenylpropan-2-ol.

What is the SMILES notation for 2-(4-chlorophenyl)-1-(15-methyl-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)propan-2-ol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol;2-(4-fluorophenyl)-1-(15-methyl-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)propan-2-ol;1-(15-methyl-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)-2-phenylpropan-2-ol?

The canonical SMILES for 2-(4-chlorophenyl)-1-(15-methyl-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)propan-2-ol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol;2-(4-fluorophenyl)-1-(15-methyl-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)propan-2-ol;1-(15-methyl-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)-2-phenylpropan-2-ol is CC(O)(Cn1c2c(c3cc(Cl)cnc31)C1CCCN1CC2)c1ccc(C(F)(F)F)cc1.Cc1cnc2c(c1)c1c(n2CC(C)(O)c2ccc(Cl)cc2)CCN2CCCCC12.Cc1cnc2c(c1)c1c(n2CC(C)(O)c2ccc(F)cc2)CCN2CCCCC12.Cc1cnc2c(c1)c1c(n2CC(C)(O)c2ccccc2)CCN2CCCCC12.

What is the InChIKey of 2-(4-chlorophenyl)-1-(15-methyl-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)propan-2-ol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol;2-(4-fluorophenyl)-1-(15-methyl-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)propan-2-ol;1-(15-methyl-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)-2-phenylpropan-2-ol?

The InChIKey is BOFVPLSAOWMSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O.C24H28FN3O.C24H29N3O.C23H23ClF3N3O/c2*1-16-13-19-22-20-5-3-4-11-27(20)12-10-21(22)28(23(19)26-14-16)15-24(2,29)17-6-8-18(25)9-7-17;1-17-14-19-22-20-10-6-7-12-26(20)13-11-21(22)27(23(19)25-15-17)16-24(2,28)18-8-4-3-5-9-18;1-22(31,14-4-6-15(7-5-14)23(25,26)27)13-30-19-8-10-29-9-2-3-18(29)20(19)17-11-16(24)12-28-21(17)30/h2*6-9,13-14,20,29H,3-5,10-12,15H2,1-2H3;3-5,8-9,14-15,20,28H,6-7,10-13,16H2,1-2H3;4-7,11-12,18,31H,2-3,8-10,13H2,1H3.

What are the key properties of 2-(4-chlorophenyl)-1-(15-methyl-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)propan-2-ol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol;2-(4-fluorophenyl)-1-(15-methyl-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)propan-2-ol;1-(15-methyl-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)-2-phenylpropan-2-ol?

2-(4-chlorophenyl)-1-(15-methyl-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)propan-2-ol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol;2-(4-fluorophenyl)-1-(15-methyl-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)propan-2-ol;1-(15-methyl-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)-2-phenylpropan-2-ol has a molecular weight of 1628.89 g/mol, XLogP of 19.11, 12 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-1-(15-methyl-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)propan-2-ol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol;2-(4-fluorophenyl)-1-(15-methyl-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)propan-2-ol;1-(15-methyl-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)-2-phenylpropan-2-ol is sourced from PubChem (CID 157410575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).