7-cyclohexyl-18-(6-octyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)-11,22-dipyrrolidin-1-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone

C56H52N6O8 — CID 102378215

IUPAC7-cyclohexyl-18-(6-octyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)-11,22-dipyrrolidin-1-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone
SMILESCCCCCCCCn1c(=O)c2cc3c(=O)n(N4C(=O)c5ccc6c7c(N8CCCC8)cc8c9c(ccc(c%10c(N%11CCCC%11)cc(c5c6%10)C4=O)c97)C(=O)N(C4CCCCC4)C8=O)c(=O)c3cc2c1=O
InChIInChI=1S/C56H52N6O8/c1-2-3-4-5-6-10-25-59-49(63)35-26-37-38(27-36(35)50(59)64)55(69)62(54(37)68)61-53(67)34-20-18-32-45-41(57-21-11-12-22-57)28-39-43-33(51(65)60(52(39)66)30-15-8-7-9-16-30)19-17-31(47(43)45)46-42(58-23-13-14-24-58)29-40(56(61)70)44(34)48(32)46/h17-20,26-30H,2-16,21-25H2,1H3
InChIKeyMRBFMBMIMJOGDO-UHFFFAOYSA-N
MW937.07 g/mol
LogP8.38
Rot. Bonds11

About 7-cyclohexyl-18-(6-octyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)-11,22-dipyrrolidin-1-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone

7-cyclohexyl-18-(6-octyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)-11,22-dipyrrolidin-1-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone (PubChem CID 102378215) has the molecular formula C56H52N6O8 and a molecular weight of 937.07 g/mol. Its IUPAC name is 7-cyclohexyl-18-(6-octyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)-11,22-dipyrrolidin-1-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone.

Molecular Properties

Compound Name7-cyclohexyl-18-(6-octyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)-11,22-dipyrrolidin-1-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone
PubChem CID102378215
Molecular FormulaC56H52N6O8
Molecular Weight937.07 g/mol
Exact Mass936.38
IUPAC Name7-cyclohexyl-18-(6-octyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)-11,22-dipyrrolidin-1-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone
SMILESCCCCCCCCn1c(=O)c2cc3c(=O)n(N4C(=O)c5ccc6c7c(N8CCCC8)cc8c9c(ccc(c%10c(N%11CCCC%11)cc(c5c6%10)C4=O)c97)C(=O)N(C4CCCCC4)C8=O)c(=O)c3cc2c1=O
InChIInChI=1S/C56H52N6O8/c1-2-3-4-5-6-10-25-59-49(63)35-26-37-38(27-36(35)50(59)64)55(69)62(54(37)68)61-53(67)34-20-18-32-45-41(57-21-11-12-22-57)28-39-43-33(51(65)60(52(39)66)30-15-8-7-9-16-30)19-17-31(47(43)45)46-42(58-23-13-14-24-58)29-40(56(61)70)44(34)48(32)46/h17-20,26-30H,2-16,21-25H2,1H3
InChIKeyMRBFMBMIMJOGDO-UHFFFAOYSA-N
XLogP8.38
TPSA159.38 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500937.07
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7-cyclohexyl-18-(6-octyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)-11,22-dipyrrolidin-1-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-18-(6-octyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)-11,22-dipyrrolidin-1-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone?
The IUPAC name of 7-cyclohexyl-18-(6-octyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)-11,22-dipyrrolidin-1-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone (CID 102378215) is 7-cyclohexyl-18-(6-octyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)-11,22-dipyrrolidin-1-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone.
What is the SMILES notation for 7-cyclohexyl-18-(6-octyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)-11,22-dipyrrolidin-1-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone?
The canonical SMILES for 7-cyclohexyl-18-(6-octyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)-11,22-dipyrrolidin-1-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone is CCCCCCCCn1c(=O)c2cc3c(=O)n(N4C(=O)c5ccc6c7c(N8CCCC8)cc8c9c(ccc(c%10c(N%11CCCC%11)cc(c5c6%10)C4=O)c97)C(=O)N(C4CCCCC4)C8=O)c(=O)c3cc2c1=O.
What is the InChIKey of 7-cyclohexyl-18-(6-octyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)-11,22-dipyrrolidin-1-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone?
The InChIKey is MRBFMBMIMJOGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H52N6O8/c1-2-3-4-5-6-10-25-59-49(63)35-26-37-38(27-36(35)50(59)64)55(69)62(54(37)68)61-53(67)34-20-18-32-45-41(57-21-11-12-22-57)28-39-43-33(51(65)60(52(39)66)30-15-8-7-9-16-30)19-17-31(47(43)45)46-42(58-23-13-14-24-58)29-40(56(61)70)44(34)48(32)46/h17-20,26-30H,2-16,21-25H2,1H3.
What are the key properties of 7-cyclohexyl-18-(6-octyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)-11,22-dipyrrolidin-1-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone?
7-cyclohexyl-18-(6-octyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)-11,22-dipyrrolidin-1-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone has a molecular weight of 937.07 g/mol, XLogP of 8.38, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-18-(6-octyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)-11,22-dipyrrolidin-1-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone is sourced from PubChem (CID 102378215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).