6-[4-[(3,5-diethylphenyl)methyl]-2,6-diethylphenyl]-2-[4-[[3,5-diethyl-4-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]methyl]-2,6-diethylphenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[4-[4-[2-[4-[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;3-[4-[4-[2-(4-phenoxyphenyl)propan-2-yl]phenoxy]phenyl]-2,4-dihydro-1,3-benzoxazine

C163H140N8O20 — CID 165063249

About 6-[4-[(3,5-diethylphenyl)methyl]-2,6-diethylphenyl]-2-[4-[[3,5-diethyl-4-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]methyl]-2,6-diethylphenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[4-[4-[2-[4-[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;3-[4-[4-[2-(4-phenoxyphenyl)propan-2-yl]phenoxy]phenyl]-2,4-dihydro-1,3-benzoxazine

6-[4-[(3,5-diethylphenyl)methyl]-2,6-diethylphenyl]-2-[4-[[3,5-diethyl-4-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]methyl]-2,6-diethylphenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[4-[4-[2-[4-[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;3-[4-[4-[2-(4-phenoxyphenyl)propan-2-yl]phenoxy]phenyl]-2,4-dihydro-1,3-benzoxazine (PubChem CID 165063249) has the molecular formula C163H140N8O20 and a molecular weight of 2530.95 g/mol. Its IUPAC name is 6-[4-[(3,5-diethylphenyl)methyl]-2,6-diethylphenyl]-2-[4-[[3,5-diethyl-4-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]methyl]-2,6-diethylphenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[4-[4-[2-[4-[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;3-[4-[4-[2-(4-phenoxyphenyl)propan-2-yl]phenoxy]phenyl]-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

• Compound Name: 6-[4-[(3,5-diethylphenyl)methyl]-2,6-diethylphenyl]-2-[4-[[3,5-diethyl-4-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]methyl]-2,6-diethylphenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[4-[4-[2-[4-[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;3-[4-[4-[2-(4-phenoxyphenyl)propan-2-yl]phenoxy]phenyl]-2,4-dihydro-1,3-benzoxazine
• PubChem CID: 165063249
• Molecular Formula: C163H140N8O20
• Molecular Weight: 2530.95 g/mol
• Exact Mass: 2529.02
• IUPAC Name: 6-[4-[(3,5-diethylphenyl)methyl]-2,6-diethylphenyl]-2-[4-[[3,5-diethyl-4-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]methyl]-2,6-diethylphenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[4-[4-[2-[4-[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;3-[4-[4-[2-(4-phenoxyphenyl)propan-2-yl]phenoxy]phenyl]-2,4-dihydro-1,3-benzoxazine
• SMILES: CC(C)(c1ccc(Oc2ccc(N3COc4ccccc4C3)cc2)cc1)c1ccc(Oc2ccc(N3C(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc8c(c7)C(=O)NC8=O)cc6)cc5)cc4C3=O)cc2)cc1.CC(C)(c1ccc(Oc2ccccc2)cc1)c1ccc(Oc2ccc(N3COc4ccccc4C3)cc2)cc1.CCc1cc(CC)cc(Cc2cc(CC)c(-n3c(=O)c4cc5c(=O)n(-c6c(CC)cc(Cc7cc(CC)c(-n8c(=O)c9cc%10c(=O)[nH]c(=O)c%10cc9c8=O)c(CC)c7)cc6CC)c(=O)c5cc4c3=O)c(CC)c2)c1
• InChI: InChI=1S/C66H51N3O9.C62H58N4O8.C35H31NO3/c1-65(2,42-9-21-48(22-10-42)75-52-29-17-46(18-30-52)68-39-41-7-5-6-8-60(41)74-40-68)43-11-23-49(24-12-43)76-53-31-19-47(20-32-53)69-63(72)57-36-34-55(38-59(57)64(69)73)78-51-27-15-45(16-28-51)66(3,4)44-13-25-50(26-14-44)77-54-33-35-56-58(37-54)62(71)67-61(56)70;1-9-32-17-33(10-2)19-34(18-32)20-35-22-38(11-3)53(39(12-4)23-35)65-59(71)48-30-50-51(31-49(48)60(65)72)62(74)66(61(50)73)54-42(15-7)26-37(27-43(54)16-8)21-36-24-40(13-5)52(41(14-6)25-36)64-57(69)46-28-44-45(29-47(46)58(64)70)56(68)63-55(44)67;1-35(2,27-12-18-31(19-13-27)38-30-9-4-3-5-10-30)28-14-20-32(21-15-28)39-33-22-16-29(17-23-33)36-24-26-8-6-7-11-34(26)37-25-36/h5-38H,39-40H2,1-4H3,(H,67,70,71);17-19,22-31H,9-16,20-21H2,1-8H3,(H,63,67,68);3-23H,24-25H2,1-2H3
• InChIKey: RNZBQJREPGNUNA-UHFFFAOYSA-N
• XLogP: 31.82
• TPSA: 331.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 36
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2530.95
LogP ≤ 5	31.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3,5-diethylphenyl)methyl]-2,6-diethylphenyl]-2-[4-[[3,5-diethyl-4-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]methyl]-2,6-diethylphenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[4-[4-[2-[4-[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;3-[4-[4-[2-(4-phenoxyphenyl)propan-2-yl]phenoxy]phenyl]-2,4-dihydro-1,3-benzoxazine?

The IUPAC name of 6-[4-[(3,5-diethylphenyl)methyl]-2,6-diethylphenyl]-2-[4-[[3,5-diethyl-4-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]methyl]-2,6-diethylphenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[4-[4-[2-[4-[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;3-[4-[4-[2-(4-phenoxyphenyl)propan-2-yl]phenoxy]phenyl]-2,4-dihydro-1,3-benzoxazine (CID 165063249) is 6-[4-[(3,5-diethylphenyl)methyl]-2,6-diethylphenyl]-2-[4-[[3,5-diethyl-4-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]methyl]-2,6-diethylphenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[4-[4-[2-[4-[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;3-[4-[4-[2-(4-phenoxyphenyl)propan-2-yl]phenoxy]phenyl]-2,4-dihydro-1,3-benzoxazine.

What is the SMILES notation for 6-[4-[(3,5-diethylphenyl)methyl]-2,6-diethylphenyl]-2-[4-[[3,5-diethyl-4-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]methyl]-2,6-diethylphenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[4-[4-[2-[4-[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;3-[4-[4-[2-(4-phenoxyphenyl)propan-2-yl]phenoxy]phenyl]-2,4-dihydro-1,3-benzoxazine?

The canonical SMILES for 6-[4-[(3,5-diethylphenyl)methyl]-2,6-diethylphenyl]-2-[4-[[3,5-diethyl-4-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]methyl]-2,6-diethylphenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[4-[4-[2-[4-[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;3-[4-[4-[2-(4-phenoxyphenyl)propan-2-yl]phenoxy]phenyl]-2,4-dihydro-1,3-benzoxazine is CC(C)(c1ccc(Oc2ccc(N3COc4ccccc4C3)cc2)cc1)c1ccc(Oc2ccc(N3C(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc8c(c7)C(=O)NC8=O)cc6)cc5)cc4C3=O)cc2)cc1.CC(C)(c1ccc(Oc2ccccc2)cc1)c1ccc(Oc2ccc(N3COc4ccccc4C3)cc2)cc1.CCc1cc(CC)cc(Cc2cc(CC)c(-n3c(=O)c4cc5c(=O)n(-c6c(CC)cc(Cc7cc(CC)c(-n8c(=O)c9cc%10c(=O)[nH]c(=O)c%10cc9c8=O)c(CC)c7)cc6CC)c(=O)c5cc4c3=O)c(CC)c2)c1.

What is the InChIKey of 6-[4-[(3,5-diethylphenyl)methyl]-2,6-diethylphenyl]-2-[4-[[3,5-diethyl-4-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]methyl]-2,6-diethylphenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[4-[4-[2-[4-[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;3-[4-[4-[2-(4-phenoxyphenyl)propan-2-yl]phenoxy]phenyl]-2,4-dihydro-1,3-benzoxazine?

The InChIKey is RNZBQJREPGNUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H51N3O9.C62H58N4O8.C35H31NO3/c1-65(2,42-9-21-48(22-10-42)75-52-29-17-46(18-30-52)68-39-41-7-5-6-8-60(41)74-40-68)43-11-23-49(24-12-43)76-53-31-19-47(20-32-53)69-63(72)57-36-34-55(38-59(57)64(69)73)78-51-27-15-45(16-28-51)66(3,4)44-13-25-50(26-14-44)77-54-33-35-56-58(37-54)62(71)67-61(56)70;1-9-32-17-33(10-2)19-34(18-32)20-35-22-38(11-3)53(39(12-4)23-35)65-59(71)48-30-50-51(31-49(48)60(65)72)62(74)66(61(50)73)54-42(15-7)26-37(27-43(54)16-8)21-36-24-40(13-5)52(41(14-6)25-36)64-57(69)46-28-44-45(29-47(46)58(64)70)56(68)63-55(44)67;1-35(2,27-12-18-31(19-13-27)38-30-9-4-3-5-10-30)28-14-20-32(21-15-28)39-33-22-16-29(17-23-33)36-24-26-8-6-7-11-34(26)37-25-36/h5-38H,39-40H2,1-4H3,(H,67,70,71);17-19,22-31H,9-16,20-21H2,1-8H3,(H,63,67,68);3-23H,24-25H2,1-2H3.

What are the key properties of 6-[4-[(3,5-diethylphenyl)methyl]-2,6-diethylphenyl]-2-[4-[[3,5-diethyl-4-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]methyl]-2,6-diethylphenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[4-[4-[2-[4-[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;3-[4-[4-[2-(4-phenoxyphenyl)propan-2-yl]phenoxy]phenyl]-2,4-dihydro-1,3-benzoxazine?

6-[4-[(3,5-diethylphenyl)methyl]-2,6-diethylphenyl]-2-[4-[[3,5-diethyl-4-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]methyl]-2,6-diethylphenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[4-[4-[2-[4-[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;3-[4-[4-[2-(4-phenoxyphenyl)propan-2-yl]phenoxy]phenyl]-2,4-dihydro-1,3-benzoxazine has a molecular weight of 2530.95 g/mol, XLogP of 31.82, 36 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[(3,5-diethylphenyl)methyl]-2,6-diethylphenyl]-2-[4-[[3,5-diethyl-4-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]methyl]-2,6-diethylphenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-[4-[4-[2-[4-[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;3-[4-[4-[2-(4-phenoxyphenyl)propan-2-yl]phenoxy]phenyl]-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 165063249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).