6-[4-[(E)-2-cyclopentylethenyl]phenyl]-13-(4-cyclopentylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone

C38H32N2O4 — CID 59005594

IUPAC6-[4-[(E)-2-cyclopentylethenyl]phenyl]-13-(4-cyclopentylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
SMILESO=C1c2ccc3c4c(ccc(c24)C(=O)N1c1ccc(/C=C/C2CCCC2)cc1)C(=O)N(c1ccc(C2CCCC2)cc1)C3=O
InChIInChI=1S/C38H32N2O4/c41-35-29-19-21-31-34-32(38(44)40(37(31)43)28-17-13-26(14-18-28)25-7-3-4-8-25)22-20-30(33(29)34)36(42)39(35)27-15-11-24(12-16-27)10-9-23-5-1-2-6-23/h9-23,25H,1-8H2/b10-9+
InChIKeyOICNWFKWYXKOTA-MDZDMXLPSA-N
MW580.68 g/mol
LogP8.30
Rot. Bonds5

About 6-[4-[(E)-2-cyclopentylethenyl]phenyl]-13-(4-cyclopentylphenyl)-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-[4-[(E)-2-cyclopentylethenyl]phenyl]-13-(4-cyclopentylphenyl)-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 59005594) has the molecular formula C38H32N2O4 and a molecular weight of 580.68 g/mol. Its IUPAC name is 6-[4-[(E)-2-cyclopentylethenyl]phenyl]-13-(4-cyclopentylphenyl)-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 Name6-[4-[(E)-2-cyclopentylethenyl]phenyl]-13-(4-cyclopentylphenyl)-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 CID59005594
Molecular FormulaC38H32N2O4
Molecular Weight580.68 g/mol
Exact Mass580.24
IUPAC Name6-[4-[(E)-2-cyclopentylethenyl]phenyl]-13-(4-cyclopentylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
SMILESO=C1c2ccc3c4c(ccc(c24)C(=O)N1c1ccc(/C=C/C2CCCC2)cc1)C(=O)N(c1ccc(C2CCCC2)cc1)C3=O
InChIInChI=1S/C38H32N2O4/c41-35-29-19-21-31-34-32(38(44)40(37(31)43)28-17-13-26(14-18-28)25-7-3-4-8-25)22-20-30(33(29)34)36(42)39(35)27-15-11-24(12-16-27)10-9-23-5-1-2-6-23/h9-23,25H,1-8H2/b10-9+
InChIKeyOICNWFKWYXKOTA-MDZDMXLPSA-N
XLogP8.30
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.68
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[4-[(E)-2-cyclopentylethenyl]phenyl]-13-(4-cyclopentylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone with MolForge

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Related Compounds

6,13-bis(4-cyclopentylphenyl)-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 58934403
6-(4-cyclopentylphenyl)-13-(3-pyridin-2-yloxyphenyl)-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 59005379
4-[(E)-2-cyclopentylethenyl]benzaldehyde
CID 58749933
6,13-bis(2,6-dichloro-4-cyclopentylphenyl)-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 59005531
1-cyclohexyl-4-[4-(4-cyclopentylphenyl)buta-1,3-dienyl]benzene
CID 173393354
6,13-bis(4-piperidin-1-ylphenyl)-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 12770234
6,13-bis(4-cyclopentyl-3-ethenoxyphenyl)-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 59005438
6,13-bis(4-cyclopentyl-2-methylsulfanylphenyl)-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 59005564
4-[(E)-2-(4-cyclohexylphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]aniline
CID 59838926
(7R,12R,27R,32R,52R)-6,13,26,33,46,53-hexazahexadecacyclo[51.7.1.16,58.113,21.118,26.133,41.138,46.04,59.07,12.015,20.019,24.027,32.035,40.039,44.047,52.055,60]hexahexaconta-1(60),2,4(59),15,17,19(24),20,22,35(40),36,38,41,43,55,57-pentadecaene-5,14,25,34,45,54,61,62,63,64,65,66-dodecone
CID 155061131
1-bromo-4-(2-cyclohexylethenyl)benzene
CID 170694986
[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] (E)-3-cyclopentylprop-2-enoate
CID 59005607

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(E)-2-cyclopentylethenyl]phenyl]-13-(4-cyclopentylphenyl)-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-[4-[(E)-2-cyclopentylethenyl]phenyl]-13-(4-cyclopentylphenyl)-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 59005594) is 6-[4-[(E)-2-cyclopentylethenyl]phenyl]-13-(4-cyclopentylphenyl)-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-[4-[(E)-2-cyclopentylethenyl]phenyl]-13-(4-cyclopentylphenyl)-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-[4-[(E)-2-cyclopentylethenyl]phenyl]-13-(4-cyclopentylphenyl)-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)N1c1ccc(/C=C/C2CCCC2)cc1)C(=O)N(c1ccc(C2CCCC2)cc1)C3=O.
What is the InChIKey of 6-[4-[(E)-2-cyclopentylethenyl]phenyl]-13-(4-cyclopentylphenyl)-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 OICNWFKWYXKOTA-MDZDMXLPSA-N. The full InChI is InChI=1S/C38H32N2O4/c41-35-29-19-21-31-34-32(38(44)40(37(31)43)28-17-13-26(14-18-28)25-7-3-4-8-25)22-20-30(33(29)34)36(42)39(35)27-15-11-24(12-16-27)10-9-23-5-1-2-6-23/h9-23,25H,1-8H2/b10-9+.
What are the key properties of 6-[4-[(E)-2-cyclopentylethenyl]phenyl]-13-(4-cyclopentylphenyl)-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-[4-[(E)-2-cyclopentylethenyl]phenyl]-13-(4-cyclopentylphenyl)-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 580.68 g/mol, XLogP of 8.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(E)-2-cyclopentylethenyl]phenyl]-13-(4-cyclopentylphenyl)-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 59005594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).