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

C27H17N3O4 — CID 58690923

IUPAC6-(3,6-dimethyl-2-pyridinyl)-13-phenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
SMILESCc1ccc(C)c(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(c2ccccc2)C4=O)n1
InChIInChI=1S/C27H17N3O4/c1-14-8-9-15(2)28-23(14)30-26(33)19-12-10-17-21-18(11-13-20(22(19)21)27(30)34)25(32)29(24(17)31)16-6-4-3-5-7-16/h3-13H,1-2H3
InChIKeyHGRRHEIGYSFKDP-UHFFFAOYSA-N
MW447.45 g/mol
LogP4.45
Rot. Bonds2

About 6-(3,6-dimethyl-2-pyridinyl)-13-phenyl-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-(3,6-dimethyl-2-pyridinyl)-13-phenyl-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 58690923) has the molecular formula C27H17N3O4 and a molecular weight of 447.45 g/mol. Its IUPAC name is 6-(3,6-dimethyl-2-pyridinyl)-13-phenyl-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-(3,6-dimethyl-2-pyridinyl)-13-phenyl-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 CID58690923
Molecular FormulaC27H17N3O4
Molecular Weight447.45 g/mol
Exact Mass447.12
IUPAC Name6-(3,6-dimethyl-2-pyridinyl)-13-phenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
SMILESCc1ccc(C)c(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(c2ccccc2)C4=O)n1
InChIInChI=1S/C27H17N3O4/c1-14-8-9-15(2)28-23(14)30-26(33)19-12-10-17-21-18(11-13-20(22(19)21)27(30)34)25(32)29(24(17)31)16-6-4-3-5-7-16/h3-13H,1-2H3
InChIKeyHGRRHEIGYSFKDP-UHFFFAOYSA-N
XLogP4.45
TPSA87.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.45
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(3,6-dimethyl-2-pyridinyl)-13-phenyl-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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Frequently Asked Questions

What is the IUPAC name of 6-(3,6-dimethyl-2-pyridinyl)-13-phenyl-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-(3,6-dimethyl-2-pyridinyl)-13-phenyl-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 58690923) is 6-(3,6-dimethyl-2-pyridinyl)-13-phenyl-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-(3,6-dimethyl-2-pyridinyl)-13-phenyl-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-(3,6-dimethyl-2-pyridinyl)-13-phenyl-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 Cc1ccc(C)c(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(c2ccccc2)C4=O)n1.
What is the InChIKey of 6-(3,6-dimethyl-2-pyridinyl)-13-phenyl-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 HGRRHEIGYSFKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N3O4/c1-14-8-9-15(2)28-23(14)30-26(33)19-12-10-17-21-18(11-13-20(22(19)21)27(30)34)25(32)29(24(17)31)16-6-4-3-5-7-16/h3-13H,1-2H3.
What are the key properties of 6-(3,6-dimethyl-2-pyridinyl)-13-phenyl-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-(3,6-dimethyl-2-pyridinyl)-13-phenyl-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 447.45 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,6-dimethyl-2-pyridinyl)-13-phenyl-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 58690923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).