6-[(1R,2R)-2-(6-cyclohexyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)cyclohexyl]-13-[(1R,2R)-2-(5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl)cyclohexyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone

C56H42N6O12 — CID 138463419

About 6-[(1R,2R)-2-(6-cyclohexyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)cyclohexyl]-13-[(1R,2R)-2-(5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl)cyclohexyl]-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-[(1R,2R)-2-(6-cyclohexyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)cyclohexyl]-13-[(1R,2R)-2-(5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl)cyclohexyl]-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 138463419) has the molecular formula C56H42N6O12 and a molecular weight of 990.98 g/mol. Its IUPAC name is 6-[(1R,2R)-2-(6-cyclohexyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)cyclohexyl]-13-[(1R,2R)-2-(5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl)cyclohexyl]-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-[(1R,2R)-2-(6-cyclohexyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)cyclohexyl]-13-[(1R,2R)-2-(5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl)cyclohexyl]-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: 138463419
• Molecular Formula: C56H42N6O12
• Molecular Weight: 990.98 g/mol
• Exact Mass: 990.29
• IUPAC Name: 6-[(1R,2R)-2-(6-cyclohexyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)cyclohexyl]-13-[(1R,2R)-2-(5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl)cyclohexyl]-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=C1NC(=O)c2ccc3c4c(ccc1c24)C(=O)N([C@@H]1CCCC[C@H]1N1C(=O)c2ccc4c5c(ccc(c25)C1=O)C(=O)N([C@@H]1CCCC[C@H]1n1c(=O)c2cc5c(=O)n(C6CCCCC6)c(=O)c5cc2c1=O)C4=O)C3=O
• InChI: InChI=1S/C56H42N6O12/c63-45-25-14-16-27-42-28(17-15-26(41(25)42)46(64)57-45)48(66)59(47(27)65)37-10-4-5-11-38(37)60-49(67)29-18-20-31-44-32(21-19-30(43(29)44)50(60)68)52(70)61(51(31)69)39-12-6-7-13-40(39)62-55(73)35-22-33-34(23-36(35)56(62)74)54(72)58(53(33)71)24-8-2-1-3-9-24/h14-24,37-40H,1-13H2,(H,57,63,64)/t37-,38-,39-,40-/m1/s1
• InChIKey: BCOQPXUUFZDXEX-JUFVCXMFSA-N
• XLogP: 5.59
• TPSA: 236.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 5
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	990.98
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[(1R,2R)-2-(6-cyclohexyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)cyclohexyl]-13-[(1R,2R)-2-(5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl)cyclohexyl]-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-[(1R,2R)-2-(6-cyclohexyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)cyclohexyl]-13-[(1R,2R)-2-(5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl)cyclohexyl]-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 138463419) is 6-[(1R,2R)-2-(6-cyclohexyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)cyclohexyl]-13-[(1R,2R)-2-(5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl)cyclohexyl]-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-[(1R,2R)-2-(6-cyclohexyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)cyclohexyl]-13-[(1R,2R)-2-(5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl)cyclohexyl]-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-[(1R,2R)-2-(6-cyclohexyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)cyclohexyl]-13-[(1R,2R)-2-(5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl)cyclohexyl]-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=C1NC(=O)c2ccc3c4c(ccc1c24)C(=O)N([C@@H]1CCCC[C@H]1N1C(=O)c2ccc4c5c(ccc(c25)C1=O)C(=O)N([C@@H]1CCCC[C@H]1n1c(=O)c2cc5c(=O)n(C6CCCCC6)c(=O)c5cc2c1=O)C4=O)C3=O.

What is the InChIKey of 6-[(1R,2R)-2-(6-cyclohexyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)cyclohexyl]-13-[(1R,2R)-2-(5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl)cyclohexyl]-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 BCOQPXUUFZDXEX-JUFVCXMFSA-N. The full InChI is InChI=1S/C56H42N6O12/c63-45-25-14-16-27-42-28(17-15-26(41(25)42)46(64)57-45)48(66)59(47(27)65)37-10-4-5-11-38(37)60-49(67)29-18-20-31-44-32(21-19-30(43(29)44)50(60)68)52(70)61(51(31)69)39-12-6-7-13-40(39)62-55(73)35-22-33-34(23-36(35)56(62)74)54(72)58(53(33)71)24-8-2-1-3-9-24/h14-24,37-40H,1-13H2,(H,57,63,64)/t37-,38-,39-,40-/m1/s1.

What are the key properties of 6-[(1R,2R)-2-(6-cyclohexyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)cyclohexyl]-13-[(1R,2R)-2-(5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl)cyclohexyl]-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-[(1R,2R)-2-(6-cyclohexyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)cyclohexyl]-13-[(1R,2R)-2-(5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl)cyclohexyl]-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 990.98 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(1R,2R)-2-(6-cyclohexyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)cyclohexyl]-13-[(1R,2R)-2-(5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl)cyclohexyl]-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 138463419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).