6,13-bis[3-[4-[4-[4-[4-[3-[5,7,12,14-tetraoxo-13-[3-(trifluoromethyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]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

C128H68F6N6O24S4 — CID 45489463

About 6,13-bis[3-[4-[4-[4-[4-[3-[5,7,12,14-tetraoxo-13-[3-(trifluoromethyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]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

6,13-bis[3-[4-[4-[4-[4-[3-[5,7,12,14-tetraoxo-13-[3-(trifluoromethyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]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 (PubChem CID 45489463) has the molecular formula C128H68F6N6O24S4 and a molecular weight of 2316.23 g/mol. Its IUPAC name is 6,13-bis[3-[4-[4-[4-[4-[3-[5,7,12,14-tetraoxo-13-[3-(trifluoromethyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]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.

Molecular Properties

• Compound Name: 6,13-bis[3-[4-[4-[4-[4-[3-[5,7,12,14-tetraoxo-13-[3-(trifluoromethyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]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
• PubChem CID: 45489463
• Molecular Formula: C128H68F6N6O24S4
• Molecular Weight: 2316.23 g/mol
• Exact Mass: 2314.31
• IUPAC Name: 6,13-bis[3-[4-[4-[4-[4-[3-[5,7,12,14-tetraoxo-13-[3-(trifluoromethyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]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
• SMILES: O=C1c2ccc3c4c(ccc(c24)C(=O)N1c1cccc(Oc2ccc(S(=O)(=O)c4ccc(-c5ccc(S(=O)(=O)c6ccc(Oc7cccc(N8C(=O)c9ccc%10c%11c(ccc(c9%11)C8=O)C(=O)N(c8cccc(C(F)(F)F)c8)C%10=O)c7)cc6)cc5)cc4)cc2)c1)C(=O)N(c1cccc(Oc2ccc(S(=O)(=O)c4ccc(-c5ccc(S(=O)(=O)c6ccc(Oc7cccc(N8C(=O)c9ccc%10c%11c(ccc(c9%11)C8=O)C(=O)N(c8cccc(C(F)(F)F)c8)C%10=O)c7)cc6)cc5)cc4)cc2)c1)C3=O
• InChI: InChI=1S/C128H68F6N6O24S4/c129-127(130,131)73-7-1-9-75(63-73)135-115(141)97-51-55-101-111-102(56-52-98(109(97)111)116(135)142)120(146)137(119(101)145)77-11-3-15-85(65-77)161-81-27-43-93(44-28-81)165(153,154)89-35-19-69(20-36-89)71-23-39-91(40-24-71)167(157,158)95-47-31-83(32-48-95)163-87-17-5-13-79(67-87)139-123(149)105-59-61-107-114-108(62-60-106(113(105)114)124(139)150)126(152)140(125(107)151)80-14-6-18-88(68-80)164-84-33-49-96(50-34-84)168(159,160)92-41-25-72(26-42-92)70-21-37-90(38-22-70)166(155,156)94-45-29-82(30-46-94)162-86-16-4-12-78(66-86)138-121(147)103-57-53-99-110-100(54-58-104(112(103)110)122(138)148)118(144)136(117(99)143)76-10-2-8-74(64-76)128(132,133)134/h1-68H
• InChIKey: GZKFVTHPTWYSOW-UHFFFAOYSA-N
• XLogP: 25.82
• TPSA: 397.76 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 24
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2316.23
LogP ≤ 5	25.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6,13-bis[3-[4-[4-[4-[4-[3-[5,7,12,14-tetraoxo-13-[3-(trifluoromethyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]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?

The IUPAC name of 6,13-bis[3-[4-[4-[4-[4-[3-[5,7,12,14-tetraoxo-13-[3-(trifluoromethyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]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 (CID 45489463) is 6,13-bis[3-[4-[4-[4-[4-[3-[5,7,12,14-tetraoxo-13-[3-(trifluoromethyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]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.

What is the SMILES notation for 6,13-bis[3-[4-[4-[4-[4-[3-[5,7,12,14-tetraoxo-13-[3-(trifluoromethyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]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?

The canonical SMILES for 6,13-bis[3-[4-[4-[4-[4-[3-[5,7,12,14-tetraoxo-13-[3-(trifluoromethyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]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 is O=C1c2ccc3c4c(ccc(c24)C(=O)N1c1cccc(Oc2ccc(S(=O)(=O)c4ccc(-c5ccc(S(=O)(=O)c6ccc(Oc7cccc(N8C(=O)c9ccc%10c%11c(ccc(c9%11)C8=O)C(=O)N(c8cccc(C(F)(F)F)c8)C%10=O)c7)cc6)cc5)cc4)cc2)c1)C(=O)N(c1cccc(Oc2ccc(S(=O)(=O)c4ccc(-c5ccc(S(=O)(=O)c6ccc(Oc7cccc(N8C(=O)c9ccc%10c%11c(ccc(c9%11)C8=O)C(=O)N(c8cccc(C(F)(F)F)c8)C%10=O)c7)cc6)cc5)cc4)cc2)c1)C3=O.

What is the InChIKey of 6,13-bis[3-[4-[4-[4-[4-[3-[5,7,12,14-tetraoxo-13-[3-(trifluoromethyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]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?

The InChIKey is GZKFVTHPTWYSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C128H68F6N6O24S4/c129-127(130,131)73-7-1-9-75(63-73)135-115(141)97-51-55-101-111-102(56-52-98(109(97)111)116(135)142)120(146)137(119(101)145)77-11-3-15-85(65-77)161-81-27-43-93(44-28-81)165(153,154)89-35-19-69(20-36-89)71-23-39-91(40-24-71)167(157,158)95-47-31-83(32-48-95)163-87-17-5-13-79(67-87)139-123(149)105-59-61-107-114-108(62-60-106(113(105)114)124(139)150)126(152)140(125(107)151)80-14-6-18-88(68-80)164-84-33-49-96(50-34-84)168(159,160)92-41-25-72(26-42-92)70-21-37-90(38-22-70)166(155,156)94-45-29-82(30-46-94)162-86-16-4-12-78(66-86)138-121(147)103-57-53-99-110-100(54-58-104(112(103)110)122(138)148)118(144)136(117(99)143)76-10-2-8-74(64-76)128(132,133)134/h1-68H.

What are the key properties of 6,13-bis[3-[4-[4-[4-[4-[3-[5,7,12,14-tetraoxo-13-[3-(trifluoromethyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]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?

6,13-bis[3-[4-[4-[4-[4-[3-[5,7,12,14-tetraoxo-13-[3-(trifluoromethyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]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 has a molecular weight of 2316.23 g/mol, XLogP of 25.82, 24 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 6,13-bis[3-[4-[4-[4-[4-[3-[5,7,12,14-tetraoxo-13-[3-(trifluoromethyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]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 is sourced from PubChem (CID 45489463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).