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

C38H24N4O6 — CID 58995891

IUPAC6,13-bis(3-phenylmethoxy-2-pyridinyl)-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)N1c1ncccc1OCc1ccccc1)C(=O)N(c1ncccc1OCc1ccccc1)C3=O
InChIInChI=1S/C38H24N4O6/c43-35-25-15-17-27-32-28(38(46)42(37(27)45)34-30(14-8-20-40-34)48-22-24-11-5-2-6-12-24)18-16-26(31(25)32)36(44)41(35)33-29(13-7-19-39-33)47-21-23-9-3-1-4-10-23/h1-20H,21-22H2
InChIKeyLXKXXGHSPPMJCB-UHFFFAOYSA-N
MW632.63 g/mol
LogP6.39
Rot. Bonds8

About 6,13-bis(3-phenylmethoxy-2-pyridinyl)-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-phenylmethoxy-2-pyridinyl)-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 58995891) has the molecular formula C38H24N4O6 and a molecular weight of 632.63 g/mol. Its IUPAC name is 6,13-bis(3-phenylmethoxy-2-pyridinyl)-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 Name6,13-bis(3-phenylmethoxy-2-pyridinyl)-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 CID58995891
Molecular FormulaC38H24N4O6
Molecular Weight632.63 g/mol
Exact Mass632.17
IUPAC Name6,13-bis(3-phenylmethoxy-2-pyridinyl)-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)N1c1ncccc1OCc1ccccc1)C(=O)N(c1ncccc1OCc1ccccc1)C3=O
InChIInChI=1S/C38H24N4O6/c43-35-25-15-17-27-32-28(38(46)42(37(27)45)34-30(14-8-20-40-34)48-22-24-11-5-2-6-12-24)18-16-26(31(25)32)36(44)41(35)33-29(13-7-19-39-33)47-21-23-9-3-1-4-10-23/h1-20H,21-22H2
InChIKeyLXKXXGHSPPMJCB-UHFFFAOYSA-N
XLogP6.39
TPSA119.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.63
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6,13-bis(3-phenylmethoxy-2-pyridinyl)-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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CID 168686191
ethyl 6-oxo-1-(3-phenylmethoxy-2-pyridinyl)pyridine-3-carboxylate
CID 162402866
5-oxo-1-(3-phenylmethoxy-2-pyridinyl)pyrrolidine-3-sulfonamide
CID 168719114
7-(8-phenylmethoxyquinolin-5-yl)-18-tridecan-7-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
CID 56637739
2-benzofuran-1,3-dione;4-phenylmethoxy-1H-indazol-3-amine;2-(4-phenylmethoxy-1H-indazol-3-yl)isoindole-1,3-dione
CID 161183441
2-[(3-phenylmethoxy-2-pyridinyl)methylamino]acetic acid
CID 67698372
2-(3-methyl-2-pyridinyl)isoindole-1,3-dione
CID 10609961
7,18-dipyridin-2-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
CID 139067375
5-phenyl-8-phenylmethoxyquinoline
CID 11809105
2-oxo-3-(3-phenylmethoxy-2-pyridinyl)propanoic acid
CID 90838108
4-phenylmethoxyinden-1-one
CID 11356800
4-(3-phenylmethoxy-2-pyridinyl)pyrrolidin-2-one
CID 15110932

Frequently Asked Questions

What is the IUPAC name of 6,13-bis(3-phenylmethoxy-2-pyridinyl)-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-phenylmethoxy-2-pyridinyl)-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 58995891) is 6,13-bis(3-phenylmethoxy-2-pyridinyl)-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-phenylmethoxy-2-pyridinyl)-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-phenylmethoxy-2-pyridinyl)-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)N1c1ncccc1OCc1ccccc1)C(=O)N(c1ncccc1OCc1ccccc1)C3=O.
What is the InChIKey of 6,13-bis(3-phenylmethoxy-2-pyridinyl)-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 LXKXXGHSPPMJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4O6/c43-35-25-15-17-27-32-28(38(46)42(37(27)45)34-30(14-8-20-40-34)48-22-24-11-5-2-6-12-24)18-16-26(31(25)32)36(44)41(35)33-29(13-7-19-39-33)47-21-23-9-3-1-4-10-23/h1-20H,21-22H2.
What are the key properties of 6,13-bis(3-phenylmethoxy-2-pyridinyl)-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-phenylmethoxy-2-pyridinyl)-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 632.63 g/mol, XLogP of 6.39, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,13-bis(3-phenylmethoxy-2-pyridinyl)-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 58995891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).