1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]propan-2-ol;1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-1-ol;3-[2-chloro-5-[(3-methyloxetan-3-yl)methoxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;4-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]cyclohexan-1-ol;3-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]cyclopentan-1-ol;3-[2-chloro-5-(4,4,4-trifluorobutoxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;4-fluoro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol;3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol

C156H136Cl6F4N32O12 — CID 161361753

About 1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]propan-2-ol;1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-1-ol;3-[2-chloro-5-[(3-methyloxetan-3-yl)methoxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;4-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]cyclohexan-1-ol;3-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]cyclopentan-1-ol;3-[2-chloro-5-(4,4,4-trifluorobutoxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;4-fluoro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol;3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol

1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]propan-2-ol;1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-1-ol;3-[2-chloro-5-[(3-methyloxetan-3-yl)methoxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;4-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]cyclohexan-1-ol;3-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]cyclopentan-1-ol;3-[2-chloro-5-(4,4,4-trifluorobutoxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;4-fluoro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol;3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol (PubChem CID 161361753) has the molecular formula C156H136Cl6F4N32O12 and a molecular weight of 2939.73 g/mol. Its IUPAC name is 1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]propan-2-ol;1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-1-ol;3-[2-chloro-5-[(3-methyloxetan-3-yl)methoxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;4-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]cyclohexan-1-ol;3-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]cyclopentan-1-ol;3-[2-chloro-5-(4,4,4-trifluorobutoxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;4-fluoro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol;3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol.

Molecular Properties

• Compound Name: 1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]propan-2-ol;1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-1-ol;3-[2-chloro-5-[(3-methyloxetan-3-yl)methoxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;4-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]cyclohexan-1-ol;3-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]cyclopentan-1-ol;3-[2-chloro-5-(4,4,4-trifluorobutoxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;4-fluoro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol;3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol
• PubChem CID: 161361753
• Molecular Formula: C156H136Cl6F4N32O12
• Molecular Weight: 2939.73 g/mol
• Exact Mass: 2934.91
• IUPAC Name: 1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]propan-2-ol;1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-1-ol;3-[2-chloro-5-[(3-methyloxetan-3-yl)methoxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;4-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]cyclohexan-1-ol;3-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]cyclopentan-1-ol;3-[2-chloro-5-(4,4,4-trifluorobutoxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;4-fluoro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol;3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol
• SMILES: CCC(O)c1ccc(Cl)c(-c2ncc3c(C)nc4ccc(C)nc4n23)c1.Cc1ccc2nc(C)c3cnc(-c4cc(OCC(C)O)ccc4Cl)n3c2n1.Cc1nc2cccnc2n2c(-c3cc(O)ccc3F)ncc12.Cc1nc2cccnc2n2c(-c3cc(OC4CCC(O)C4)ccc3Cl)ncc12.Cc1nc2cccnc2n2c(-c3cc(OC4CCC(O)CC4)ccc3Cl)ncc12.Cc1nc2cccnc2n2c(-c3cc(OCC4(C)COC4)ccc3Cl)ncc12.Cc1nc2cccnc2n2c(-c3cc(OCCCC(F)(F)F)ccc3Cl)ncc12.Cc1nc2cccnc2n2c(-c3cccc(O)c3)ncc12
• InChI: InChI=1S/C22H21ClN4O2.2C21H19ClN4O2.C20H16ClF3N4O.C20H19ClN4O2.C20H19ClN4O.C16H11FN4O.C16H12N4O/c1-13-20-12-25-21(27(20)22-19(26-13)3-2-10-24-22)17-11-16(8-9-18(17)23)29-15-6-4-14(28)5-7-15;1-13-18-9-24-19(26(18)20-17(25-13)4-3-7-23-20)15-8-14(5-6-16(15)22)28-12-21(2)10-27-11-21;1-12-19-11-24-20(26(19)21-18(25-12)3-2-8-23-21)16-10-15(6-7-17(16)22)28-14-5-4-13(27)9-14;1-12-17-11-26-18(28(17)19-16(27-12)4-2-8-25-19)14-10-13(5-6-15(14)21)29-9-3-7-20(22,23)24;1-11-4-7-17-20(23-11)25-18(13(3)24-17)9-22-19(25)15-8-14(5-6-16(15)21)27-10-12(2)26;1-4-18(26)13-6-7-15(21)14(9-13)19-22-10-17-12(3)24-16-8-5-11(2)23-20(16)25(17)19;1-9-14-8-19-15(11-7-10(22)4-5-12(11)17)21(14)16-13(20-9)3-2-6-18-16;1-10-14-9-18-15(11-4-2-5-12(21)8-11)20(14)16-13(19-10)6-3-7-17-16/h2-3,8-12,14-15,28H,4-7H2,1H3;3-9H,10-12H2,1-2H3;2-3,6-8,10-11,13-14,27H,4-5,9H2,1H3;2,4-6,8,10-11H,3,7,9H2,1H3;4-9,12,26H,10H2,1-3H3;5-10,18,26H,4H2,1-3H3;2-8,22H,1H3;2-9,21H,1H3
• InChIKey: VPGRZSDUXSSJGA-UHFFFAOYSA-N
• XLogP: 33.42
• TPSA: 521.40 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 44
• Rotatable Bonds: 24
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2939.73
LogP ≤ 5	33.42
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]propan-2-ol;1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-1-ol;3-[2-chloro-5-[(3-methyloxetan-3-yl)methoxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;4-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]cyclohexan-1-ol;3-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]cyclopentan-1-ol;3-[2-chloro-5-(4,4,4-trifluorobutoxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;4-fluoro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol;3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol?

The IUPAC name of 1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]propan-2-ol;1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-1-ol;3-[2-chloro-5-[(3-methyloxetan-3-yl)methoxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;4-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]cyclohexan-1-ol;3-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]cyclopentan-1-ol;3-[2-chloro-5-(4,4,4-trifluorobutoxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;4-fluoro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol;3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol (CID 161361753) is 1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]propan-2-ol;1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-1-ol;3-[2-chloro-5-[(3-methyloxetan-3-yl)methoxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;4-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]cyclohexan-1-ol;3-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]cyclopentan-1-ol;3-[2-chloro-5-(4,4,4-trifluorobutoxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;4-fluoro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol;3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol.

What is the SMILES notation for 1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]propan-2-ol;1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-1-ol;3-[2-chloro-5-[(3-methyloxetan-3-yl)methoxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;4-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]cyclohexan-1-ol;3-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]cyclopentan-1-ol;3-[2-chloro-5-(4,4,4-trifluorobutoxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;4-fluoro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol;3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol?

The canonical SMILES for 1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]propan-2-ol;1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-1-ol;3-[2-chloro-5-[(3-methyloxetan-3-yl)methoxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;4-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]cyclohexan-1-ol;3-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]cyclopentan-1-ol;3-[2-chloro-5-(4,4,4-trifluorobutoxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;4-fluoro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol;3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol is CCC(O)c1ccc(Cl)c(-c2ncc3c(C)nc4ccc(C)nc4n23)c1.Cc1ccc2nc(C)c3cnc(-c4cc(OCC(C)O)ccc4Cl)n3c2n1.Cc1nc2cccnc2n2c(-c3cc(O)ccc3F)ncc12.Cc1nc2cccnc2n2c(-c3cc(OC4CCC(O)C4)ccc3Cl)ncc12.Cc1nc2cccnc2n2c(-c3cc(OC4CCC(O)CC4)ccc3Cl)ncc12.Cc1nc2cccnc2n2c(-c3cc(OCC4(C)COC4)ccc3Cl)ncc12.Cc1nc2cccnc2n2c(-c3cc(OCCCC(F)(F)F)ccc3Cl)ncc12.Cc1nc2cccnc2n2c(-c3cccc(O)c3)ncc12.

What is the InChIKey of 1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]propan-2-ol;1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-1-ol;3-[2-chloro-5-[(3-methyloxetan-3-yl)methoxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;4-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]cyclohexan-1-ol;3-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]cyclopentan-1-ol;3-[2-chloro-5-(4,4,4-trifluorobutoxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;4-fluoro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol;3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol?

The InChIKey is VPGRZSDUXSSJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2.2C21H19ClN4O2.C20H16ClF3N4O.C20H19ClN4O2.C20H19ClN4O.C16H11FN4O.C16H12N4O/c1-13-20-12-25-21(27(20)22-19(26-13)3-2-10-24-22)17-11-16(8-9-18(17)23)29-15-6-4-14(28)5-7-15;1-13-18-9-24-19(26(18)20-17(25-13)4-3-7-23-20)15-8-14(5-6-16(15)22)28-12-21(2)10-27-11-21;1-12-19-11-24-20(26(19)21-18(25-12)3-2-8-23-21)16-10-15(6-7-17(16)22)28-14-5-4-13(27)9-14;1-12-17-11-26-18(28(17)19-16(27-12)4-2-8-25-19)14-10-13(5-6-15(14)21)29-9-3-7-20(22,23)24;1-11-4-7-17-20(23-11)25-18(13(3)24-17)9-22-19(25)15-8-14(5-6-16(15)21)27-10-12(2)26;1-4-18(26)13-6-7-15(21)14(9-13)19-22-10-17-12(3)24-16-8-5-11(2)23-20(16)25(17)19;1-9-14-8-19-15(11-7-10(22)4-5-12(11)17)21(14)16-13(20-9)3-2-6-18-16;1-10-14-9-18-15(11-4-2-5-12(21)8-11)20(14)16-13(19-10)6-3-7-17-16/h2-3,8-12,14-15,28H,4-7H2,1H3;3-9H,10-12H2,1-2H3;2-3,6-8,10-11,13-14,27H,4-5,9H2,1H3;2,4-6,8,10-11H,3,7,9H2,1H3;4-9,12,26H,10H2,1-3H3;5-10,18,26H,4H2,1-3H3;2-8,22H,1H3;2-9,21H,1H3.

What are the key properties of 1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]propan-2-ol;1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-1-ol;3-[2-chloro-5-[(3-methyloxetan-3-yl)methoxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;4-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]cyclohexan-1-ol;3-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]cyclopentan-1-ol;3-[2-chloro-5-(4,4,4-trifluorobutoxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;4-fluoro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol;3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol?

1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]propan-2-ol;1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-1-ol;3-[2-chloro-5-[(3-methyloxetan-3-yl)methoxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;4-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]cyclohexan-1-ol;3-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]cyclopentan-1-ol;3-[2-chloro-5-(4,4,4-trifluorobutoxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;4-fluoro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol;3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol has a molecular weight of 2939.73 g/mol, XLogP of 33.42, 24 rotatable bonds, 6 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]propan-2-ol;1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-1-ol;3-[2-chloro-5-[(3-methyloxetan-3-yl)methoxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;4-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]cyclohexan-1-ol;3-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenoxy]cyclopentan-1-ol;3-[2-chloro-5-(4,4,4-trifluorobutoxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;4-fluoro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol;3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenol is sourced from PubChem (CID 161361753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).