3,5-diphenyl-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,7,9,11(15)-hexaene

C23H15N3O2 — CID 8721626

IUPAC3,5-diphenyl-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,7,9,11(15)-hexaene
SMILESc1ccc(-c2nn(-c3ccccc3)c3c2cnc2cc4c(cc23)OCO4)cc1
InChIInChI=1S/C23H15N3O2/c1-3-7-15(8-4-1)22-18-13-24-19-12-21-20(27-14-28-21)11-17(19)23(18)26(25-22)16-9-5-2-6-10-16/h1-13H,14H2
InChIKeyOGEUPOMACAJBBP-UHFFFAOYSA-N
MW365.39 g/mol
LogP4.97
Rot. Bonds2

About 3,5-diphenyl-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,7,9,11(15)-hexaene

3,5-diphenyl-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,7,9,11(15)-hexaene (PubChem CID 8721626) has the molecular formula C23H15N3O2 and a molecular weight of 365.39 g/mol. Its IUPAC name is 3,5-diphenyl-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,7,9,11(15)-hexaene.

Molecular Properties

Compound Name3,5-diphenyl-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,7,9,11(15)-hexaene
PubChem CID8721626
Molecular FormulaC23H15N3O2
Molecular Weight365.39 g/mol
Exact Mass365.12
IUPAC Name3,5-diphenyl-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,7,9,11(15)-hexaene
SMILESc1ccc(-c2nn(-c3ccccc3)c3c2cnc2cc4c(cc23)OCO4)cc1
InChIInChI=1S/C23H15N3O2/c1-3-7-15(8-4-1)22-18-13-24-19-12-21-20(27-14-28-21)11-17(19)23(18)26(25-22)16-9-5-2-6-10-16/h1-13H,14H2
InChIKeyOGEUPOMACAJBBP-UHFFFAOYSA-N
XLogP4.97
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,5-diphenyl-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,7,9,11(15)-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyl-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,7,9,11(15)-hexaene?
The IUPAC name of 3,5-diphenyl-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,7,9,11(15)-hexaene (CID 8721626) is 3,5-diphenyl-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,7,9,11(15)-hexaene.
What is the SMILES notation for 3,5-diphenyl-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,7,9,11(15)-hexaene?
The canonical SMILES for 3,5-diphenyl-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,7,9,11(15)-hexaene is c1ccc(-c2nn(-c3ccccc3)c3c2cnc2cc4c(cc23)OCO4)cc1.
What is the InChIKey of 3,5-diphenyl-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,7,9,11(15)-hexaene?
The InChIKey is OGEUPOMACAJBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O2/c1-3-7-15(8-4-1)22-18-13-24-19-12-21-20(27-14-28-21)11-17(19)23(18)26(25-22)16-9-5-2-6-10-16/h1-13H,14H2.
What are the key properties of 3,5-diphenyl-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,7,9,11(15)-hexaene?
3,5-diphenyl-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,7,9,11(15)-hexaene has a molecular weight of 365.39 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyl-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,7,9,11(15)-hexaene is sourced from PubChem (CID 8721626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).