tris(6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone);ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;6-methyl-13-[4-[(4-methylphenyl)methyl]phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene

C159H124F6N8O22 — CID 160823502

About tris(6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone);ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;6-methyl-13-[4-[(4-methylphenyl)methyl]phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene

tris(6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone);ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;6-methyl-13-[4-[(4-methylphenyl)methyl]phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene (PubChem CID 160823502) has the molecular formula C159H124F6N8O22 and a molecular weight of 2612.76 g/mol. Its IUPAC name is tris(6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone);ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;6-methyl-13-[4-[(4-methylphenyl)methyl]phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene.

Molecular Properties

• Compound Name: tris(6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone);ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;6-methyl-13-[4-[(4-methylphenyl)methyl]phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene
• PubChem CID: 160823502
• Molecular Formula: C159H124F6N8O22
• Molecular Weight: 2612.76 g/mol
• Exact Mass: 2610.87
• IUPAC Name: tris(6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone);ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;6-methyl-13-[4-[(4-methylphenyl)methyl]phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene
• SMILES: CC.CC.CC.CN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(C)C3=O.CN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(C)C3=O.CN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(C)C3=O.Cc1ccc(Cc2ccc(N3C(=O)c4ccc5c6c(ccc(c46)C3=O)C(=O)N(C)C5=O)cc2)cc1.FC(F)(F)C(c1ccc(Oc2ccccc2)cc1)(c1ccc(Oc2ccccc2)cc1)C(F)(F)F.c1ccc(Oc2ccc(-c3ccc(Oc4ccccc4)cc3)cc2)cc1.c1ccc(Oc2ccc(Cc3ccc(Oc4ccccc4)cc3)cc2)cc1
• InChI: InChI=1S/C29H20N2O4.C27H18F6O2.C25H20O2.C24H18O2.3C16H10N2O4.3C2H6/c1-16-3-5-17(6-4-16)15-18-7-9-19(10-8-18)31-28(34)22-13-11-20-24-21(27(33)30(2)26(20)32)12-14-23(25(22)24)29(31)35;28-26(29,30)25(27(31,32)33,19-11-15-23(16-12-19)34-21-7-3-1-4-8-21)20-13-17-24(18-14-20)35-22-9-5-2-6-10-22;1-3-7-22(8-4-1)26-24-15-11-20(12-16-24)19-21-13-17-25(18-14-21)27-23-9-5-2-6-10-23;1-3-7-21(8-4-1)25-23-15-11-19(12-16-23)20-13-17-24(18-14-20)26-22-9-5-2-6-10-22;3*1-17-13(19)7-3-5-9-12-10(16(22)18(2)15(9)21)6-4-8(11(7)12)14(17)20;3*1-2/h3-14H,15H2,1-2H3;1-18H;1-18H,19H2;1-18H;3*3-6H,1-2H3;3*1-2H3
• InChIKey: SFVVCVCTMQLKSD-UHFFFAOYSA-N
• XLogP: 34.20
• TPSA: 354.42 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 20
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2612.76
LogP ≤ 5	34.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tris(6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone);ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;6-methyl-13-[4-[(4-methylphenyl)methyl]phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene?

The IUPAC name of tris(6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone);ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;6-methyl-13-[4-[(4-methylphenyl)methyl]phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene (CID 160823502) is tris(6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone);ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;6-methyl-13-[4-[(4-methylphenyl)methyl]phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene.

What is the SMILES notation for tris(6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone);ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;6-methyl-13-[4-[(4-methylphenyl)methyl]phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene?

The canonical SMILES for tris(6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone);ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;6-methyl-13-[4-[(4-methylphenyl)methyl]phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene is CC.CC.CC.CN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(C)C3=O.CN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(C)C3=O.CN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(C)C3=O.Cc1ccc(Cc2ccc(N3C(=O)c4ccc5c6c(ccc(c46)C3=O)C(=O)N(C)C5=O)cc2)cc1.FC(F)(F)C(c1ccc(Oc2ccccc2)cc1)(c1ccc(Oc2ccccc2)cc1)C(F)(F)F.c1ccc(Oc2ccc(-c3ccc(Oc4ccccc4)cc3)cc2)cc1.c1ccc(Oc2ccc(Cc3ccc(Oc4ccccc4)cc3)cc2)cc1.

What is the InChIKey of tris(6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone);ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;6-methyl-13-[4-[(4-methylphenyl)methyl]phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene?

The InChIKey is SFVVCVCTMQLKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N2O4.C27H18F6O2.C25H20O2.C24H18O2.3C16H10N2O4.3C2H6/c1-16-3-5-17(6-4-16)15-18-7-9-19(10-8-18)31-28(34)22-13-11-20-24-21(27(33)30(2)26(20)32)12-14-23(25(22)24)29(31)35;28-26(29,30)25(27(31,32)33,19-11-15-23(16-12-19)34-21-7-3-1-4-8-21)20-13-17-24(18-14-20)35-22-9-5-2-6-10-22;1-3-7-22(8-4-1)26-24-15-11-20(12-16-24)19-21-13-17-25(18-14-21)27-23-9-5-2-6-10-23;1-3-7-21(8-4-1)25-23-15-11-19(12-16-23)20-13-17-24(18-14-20)26-22-9-5-2-6-10-22;3*1-17-13(19)7-3-5-9-12-10(16(22)18(2)15(9)21)6-4-8(11(7)12)14(17)20;3*1-2/h3-14H,15H2,1-2H3;1-18H;1-18H,19H2;1-18H;3*3-6H,1-2H3;3*1-2H3.

What are the key properties of tris(6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone);ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;6-methyl-13-[4-[(4-methylphenyl)methyl]phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene?

tris(6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone);ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;6-methyl-13-[4-[(4-methylphenyl)methyl]phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene has a molecular weight of 2612.76 g/mol, XLogP of 34.20, 20 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for tris(6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone);ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;6-methyl-13-[4-[(4-methylphenyl)methyl]phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene is sourced from PubChem (CID 160823502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).