15,16-diphenyl-2-oxa-10,14-diazatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,9,12,15,17-octaene

C27H18N2O — CID 15249941

IUPAC15,16-diphenyl-2-oxa-10,14-diazatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,9,12,15,17-octaene
SMILESC1=Nc2cc3[nH]c(-c4ccccc4)c(-c4ccccc4)c3cc2Oc2ccccc21
InChIInChI=1S/C27H18N2O/c1-3-9-18(10-4-1)26-21-15-25-23(28-17-20-13-7-8-14-24(20)30-25)16-22(21)29-27(26)19-11-5-2-6-12-19/h1-17,29H
InChIKeyFPFVQDYPMRBCDM-UHFFFAOYSA-N
MW386.45 g/mol
LogP7.36
Rot. Bonds2

About 15,16-diphenyl-2-oxa-10,14-diazatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,9,12,15,17-octaene

15,16-diphenyl-2-oxa-10,14-diazatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,9,12,15,17-octaene (PubChem CID 15249941) has the molecular formula C27H18N2O and a molecular weight of 386.45 g/mol. Its IUPAC name is 15,16-diphenyl-2-oxa-10,14-diazatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,9,12,15,17-octaene.

Molecular Properties

Compound Name15,16-diphenyl-2-oxa-10,14-diazatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,9,12,15,17-octaene
PubChem CID15249941
Molecular FormulaC27H18N2O
Molecular Weight386.45 g/mol
Exact Mass386.14
IUPAC Name15,16-diphenyl-2-oxa-10,14-diazatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,9,12,15,17-octaene
SMILESC1=Nc2cc3[nH]c(-c4ccccc4)c(-c4ccccc4)c3cc2Oc2ccccc21
InChIInChI=1S/C27H18N2O/c1-3-9-18(10-4-1)26-21-15-25-23(28-17-20-13-7-8-14-24(20)30-25)16-22(21)29-27(26)19-11-5-2-6-12-19/h1-17,29H
InChIKeyFPFVQDYPMRBCDM-UHFFFAOYSA-N
XLogP7.36
TPSA37.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 15,16-diphenyl-2-oxa-10,14-diazatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,9,12,15,17-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15,16-diphenyl-2-oxa-10,14-diazatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,9,12,15,17-octaene?
The IUPAC name of 15,16-diphenyl-2-oxa-10,14-diazatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,9,12,15,17-octaene (CID 15249941) is 15,16-diphenyl-2-oxa-10,14-diazatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,9,12,15,17-octaene.
What is the SMILES notation for 15,16-diphenyl-2-oxa-10,14-diazatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,9,12,15,17-octaene?
The canonical SMILES for 15,16-diphenyl-2-oxa-10,14-diazatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,9,12,15,17-octaene is C1=Nc2cc3[nH]c(-c4ccccc4)c(-c4ccccc4)c3cc2Oc2ccccc21.
What is the InChIKey of 15,16-diphenyl-2-oxa-10,14-diazatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,9,12,15,17-octaene?
The InChIKey is FPFVQDYPMRBCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N2O/c1-3-9-18(10-4-1)26-21-15-25-23(28-17-20-13-7-8-14-24(20)30-25)16-22(21)29-27(26)19-11-5-2-6-12-19/h1-17,29H.
What are the key properties of 15,16-diphenyl-2-oxa-10,14-diazatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,9,12,15,17-octaene?
15,16-diphenyl-2-oxa-10,14-diazatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,9,12,15,17-octaene has a molecular weight of 386.45 g/mol, XLogP of 7.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15,16-diphenyl-2-oxa-10,14-diazatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,9,12,15,17-octaene is sourced from PubChem (CID 15249941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).