(3,5-dimethylphenyl) 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate

C27H30N2O2 — CID 3252147

IUPAC(3,5-dimethylphenyl) 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate
SMILESCc1cc(C)cc(OC(=O)C23CCC(C)(c4nc5cc(C)c(C)cc5nc42)C3(C)C)c1
InChIInChI=1S/C27H30N2O2/c1-15-10-16(2)12-19(11-15)31-24(30)27-9-8-26(7,25(27,5)6)22-23(27)29-21-14-18(4)17(3)13-20(21)28-22/h10-14H,8-9H2,1-7H3
InChIKeyCGLJLWPPUYTLFD-UHFFFAOYSA-N
MW414.55 g/mol
LogP5.80
Rot. Bonds2

About (3,5-dimethylphenyl) 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate

(3,5-dimethylphenyl) 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate (PubChem CID 3252147) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is (3,5-dimethylphenyl) 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate.

Molecular Properties

Compound Name(3,5-dimethylphenyl) 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate
PubChem CID3252147
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC Name(3,5-dimethylphenyl) 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate
SMILESCc1cc(C)cc(OC(=O)C23CCC(C)(c4nc5cc(C)c(C)cc5nc42)C3(C)C)c1
InChIInChI=1S/C27H30N2O2/c1-15-10-16(2)12-19(11-15)31-24(30)27-9-8-26(7,25(27,5)6)22-23(27)29-21-14-18(4)17(3)13-20(21)28-22/h10-14H,8-9H2,1-7H3
InChIKeyCGLJLWPPUYTLFD-UHFFFAOYSA-N
XLogP5.80
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3,5-dimethylphenyl) 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl) 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate?
The IUPAC name of (3,5-dimethylphenyl) 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate (CID 3252147) is (3,5-dimethylphenyl) 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate.
What is the SMILES notation for (3,5-dimethylphenyl) 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate?
The canonical SMILES for (3,5-dimethylphenyl) 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate is Cc1cc(C)cc(OC(=O)C23CCC(C)(c4nc5cc(C)c(C)cc5nc42)C3(C)C)c1.
What is the InChIKey of (3,5-dimethylphenyl) 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate?
The InChIKey is CGLJLWPPUYTLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O2/c1-15-10-16(2)12-19(11-15)31-24(30)27-9-8-26(7,25(27,5)6)22-23(27)29-21-14-18(4)17(3)13-20(21)28-22/h10-14H,8-9H2,1-7H3.
What are the key properties of (3,5-dimethylphenyl) 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate?
(3,5-dimethylphenyl) 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate has a molecular weight of 414.55 g/mol, XLogP of 5.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl) 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate is sourced from PubChem (CID 3252147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).