6-(4-cyclopentylphenyl)-13-(3-phenoxyphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone

C37H26N2O5 — CID 59005493

IUPAC6-(4-cyclopentylphenyl)-13-(3-phenoxyphenyl)-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(C2CCCC2)cc1)C(=O)N(c1cccc(Oc2ccccc2)c1)C3=O
InChIInChI=1S/C37H26N2O5/c40-34-28-17-19-30-33-31(37(43)39(36(30)42)25-9-6-12-27(21-25)44-26-10-2-1-3-11-26)20-18-29(32(28)33)35(41)38(34)24-15-13-23(14-16-24)22-7-4-5-8-22/h1-3,6,9-22H,4-5,7-8H2
InChIKeyHPTNEGLIRPRVLV-UHFFFAOYSA-N
MW578.62 g/mol
LogP7.89
Rot. Bonds5

About 6-(4-cyclopentylphenyl)-13-(3-phenoxyphenyl)-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-cyclopentylphenyl)-13-(3-phenoxyphenyl)-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 59005493) has the molecular formula C37H26N2O5 and a molecular weight of 578.62 g/mol. Its IUPAC name is 6-(4-cyclopentylphenyl)-13-(3-phenoxyphenyl)-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-cyclopentylphenyl)-13-(3-phenoxyphenyl)-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 CID59005493
Molecular FormulaC37H26N2O5
Molecular Weight578.62 g/mol
Exact Mass578.18
IUPAC Name6-(4-cyclopentylphenyl)-13-(3-phenoxyphenyl)-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(C2CCCC2)cc1)C(=O)N(c1cccc(Oc2ccccc2)c1)C3=O
InChIInChI=1S/C37H26N2O5/c40-34-28-17-19-30-33-31(37(43)39(36(30)42)25-9-6-12-27(21-25)44-26-10-2-1-3-11-26)20-18-29(32(28)33)35(41)38(34)24-15-13-23(14-16-24)22-7-4-5-8-22/h1-3,6,9-22H,4-5,7-8H2
InChIKeyHPTNEGLIRPRVLV-UHFFFAOYSA-N
XLogP7.89
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.62
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(4-cyclopentylphenyl)-13-(3-phenoxyphenyl)-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

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2,7-Bis-(3-hydroxy-phenyl)-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone
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7-(2,2-Difluoro-1,3-benzodioxol-5-yl)-18-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
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Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopentylphenyl)-13-(3-phenoxyphenyl)-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-cyclopentylphenyl)-13-(3-phenoxyphenyl)-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 59005493) is 6-(4-cyclopentylphenyl)-13-(3-phenoxyphenyl)-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-cyclopentylphenyl)-13-(3-phenoxyphenyl)-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-cyclopentylphenyl)-13-(3-phenoxyphenyl)-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(C2CCCC2)cc1)C(=O)N(c1cccc(Oc2ccccc2)c1)C3=O.
What is the InChIKey of 6-(4-cyclopentylphenyl)-13-(3-phenoxyphenyl)-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 HPTNEGLIRPRVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N2O5/c40-34-28-17-19-30-33-31(37(43)39(36(30)42)25-9-6-12-27(21-25)44-26-10-2-1-3-11-26)20-18-29(32(28)33)35(41)38(34)24-15-13-23(14-16-24)22-7-4-5-8-22/h1-3,6,9-22H,4-5,7-8H2.
What are the key properties of 6-(4-cyclopentylphenyl)-13-(3-phenoxyphenyl)-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-cyclopentylphenyl)-13-(3-phenoxyphenyl)-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 578.62 g/mol, XLogP of 7.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclopentylphenyl)-13-(3-phenoxyphenyl)-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 59005493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).