17-(4-methoxyphenyl)-15-phenyl-11-oxa-13,14-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,8,12,15-pentaen-2-amine

C27H25N3O2 — CID 134147264

IUPAC17-(4-methoxyphenyl)-15-phenyl-11-oxa-13,14-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,8,12,15-pentaen-2-amine
SMILESCOc1ccc(C2c3c(n[nH]c3-c3ccccc3)Oc3cc4c(c(N)c32)CCCC4)cc1
InChIInChI=1S/C27H25N3O2/c1-31-19-13-11-16(12-14-19)22-23-21(15-18-9-5-6-10-20(18)25(23)28)32-27-24(22)26(29-30-27)17-7-3-2-4-8-17/h2-4,7-8,11-15,22H,5-6,9-10,28H2,1H3,(H,29,30)
InChIKeyMOXOTJQEMDQHML-UHFFFAOYSA-N
MW423.52 g/mol
LogP5.83
Rot. Bonds3

About 17-(4-methoxyphenyl)-15-phenyl-11-oxa-13,14-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,8,12,15-pentaen-2-amine

17-(4-methoxyphenyl)-15-phenyl-11-oxa-13,14-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,8,12,15-pentaen-2-amine (PubChem CID 134147264) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 17-(4-methoxyphenyl)-15-phenyl-11-oxa-13,14-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,8,12,15-pentaen-2-amine.

Molecular Properties

Compound Name17-(4-methoxyphenyl)-15-phenyl-11-oxa-13,14-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,8,12,15-pentaen-2-amine
PubChem CID134147264
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC Name17-(4-methoxyphenyl)-15-phenyl-11-oxa-13,14-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,8,12,15-pentaen-2-amine
SMILESCOc1ccc(C2c3c(n[nH]c3-c3ccccc3)Oc3cc4c(c(N)c32)CCCC4)cc1
InChIInChI=1S/C27H25N3O2/c1-31-19-13-11-16(12-14-19)22-23-21(15-18-9-5-6-10-20(18)25(23)28)32-27-24(22)26(29-30-27)17-7-3-2-4-8-17/h2-4,7-8,11-15,22H,5-6,9-10,28H2,1H3,(H,29,30)
InChIKeyMOXOTJQEMDQHML-UHFFFAOYSA-N
XLogP5.83
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 17-(4-methoxyphenyl)-15-phenyl-11-oxa-13,14-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,8,12,15-pentaen-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 17-(4-methoxyphenyl)-15-phenyl-11-oxa-13,14-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,8,12,15-pentaen-2-amine?
The IUPAC name of 17-(4-methoxyphenyl)-15-phenyl-11-oxa-13,14-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,8,12,15-pentaen-2-amine (CID 134147264) is 17-(4-methoxyphenyl)-15-phenyl-11-oxa-13,14-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,8,12,15-pentaen-2-amine.
What is the SMILES notation for 17-(4-methoxyphenyl)-15-phenyl-11-oxa-13,14-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,8,12,15-pentaen-2-amine?
The canonical SMILES for 17-(4-methoxyphenyl)-15-phenyl-11-oxa-13,14-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,8,12,15-pentaen-2-amine is COc1ccc(C2c3c(n[nH]c3-c3ccccc3)Oc3cc4c(c(N)c32)CCCC4)cc1.
What is the InChIKey of 17-(4-methoxyphenyl)-15-phenyl-11-oxa-13,14-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,8,12,15-pentaen-2-amine?
The InChIKey is MOXOTJQEMDQHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c1-31-19-13-11-16(12-14-19)22-23-21(15-18-9-5-6-10-20(18)25(23)28)32-27-24(22)26(29-30-27)17-7-3-2-4-8-17/h2-4,7-8,11-15,22H,5-6,9-10,28H2,1H3,(H,29,30).
What are the key properties of 17-(4-methoxyphenyl)-15-phenyl-11-oxa-13,14-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,8,12,15-pentaen-2-amine?
17-(4-methoxyphenyl)-15-phenyl-11-oxa-13,14-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,8,12,15-pentaen-2-amine has a molecular weight of 423.52 g/mol, XLogP of 5.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(4-methoxyphenyl)-15-phenyl-11-oxa-13,14-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,8,12,15-pentaen-2-amine is sourced from PubChem (CID 134147264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).