2-phenyl-9-oxa-2,16-diazatetracyclo[15.3.1.03,8.010,15]henicosa-1(20),3,5,7,10,12,14,17(21),18-nonaene

C24H18N2O — CID 170666880

IUPAC2-phenyl-9-oxa-2,16-diazatetracyclo[15.3.1.03,8.010,15]henicosa-1(20),3,5,7,10,12,14,17(21),18-nonaene
SMILESc1ccc(N2c3cccc(c3)Nc3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C24H18N2O/c1-2-10-19(11-3-1)26-20-12-8-9-18(17-20)25-21-13-4-6-15-23(21)27-24-16-7-5-14-22(24)26/h1-17,25H
InChIKeyKTARGHOYZHYAFY-UHFFFAOYSA-N
MW350.42 g/mol
LogP7.01
Rot. Bonds1

About 2-phenyl-9-oxa-2,16-diazatetracyclo[15.3.1.03,8.010,15]henicosa-1(20),3,5,7,10,12,14,17(21),18-nonaene

2-phenyl-9-oxa-2,16-diazatetracyclo[15.3.1.03,8.010,15]henicosa-1(20),3,5,7,10,12,14,17(21),18-nonaene (PubChem CID 170666880) has the molecular formula C24H18N2O and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-phenyl-9-oxa-2,16-diazatetracyclo[15.3.1.03,8.010,15]henicosa-1(20),3,5,7,10,12,14,17(21),18-nonaene.

Molecular Properties

Compound Name2-phenyl-9-oxa-2,16-diazatetracyclo[15.3.1.03,8.010,15]henicosa-1(20),3,5,7,10,12,14,17(21),18-nonaene
PubChem CID170666880
Molecular FormulaC24H18N2O
Molecular Weight350.42 g/mol
Exact Mass350.14
IUPAC Name2-phenyl-9-oxa-2,16-diazatetracyclo[15.3.1.03,8.010,15]henicosa-1(20),3,5,7,10,12,14,17(21),18-nonaene
SMILESc1ccc(N2c3cccc(c3)Nc3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C24H18N2O/c1-2-10-19(11-3-1)26-20-12-8-9-18(17-20)25-21-13-4-6-15-23(21)27-24-16-7-5-14-22(24)26/h1-17,25H
InChIKeyKTARGHOYZHYAFY-UHFFFAOYSA-N
XLogP7.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.42
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-phenyl-9-oxa-2,16-diazatetracyclo[15.3.1.03,8.010,15]henicosa-1(20),3,5,7,10,12,14,17(21),18-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-9-oxa-2,16-diazatetracyclo[15.3.1.03,8.010,15]henicosa-1(20),3,5,7,10,12,14,17(21),18-nonaene?
The IUPAC name of 2-phenyl-9-oxa-2,16-diazatetracyclo[15.3.1.03,8.010,15]henicosa-1(20),3,5,7,10,12,14,17(21),18-nonaene (CID 170666880) is 2-phenyl-9-oxa-2,16-diazatetracyclo[15.3.1.03,8.010,15]henicosa-1(20),3,5,7,10,12,14,17(21),18-nonaene.
What is the SMILES notation for 2-phenyl-9-oxa-2,16-diazatetracyclo[15.3.1.03,8.010,15]henicosa-1(20),3,5,7,10,12,14,17(21),18-nonaene?
The canonical SMILES for 2-phenyl-9-oxa-2,16-diazatetracyclo[15.3.1.03,8.010,15]henicosa-1(20),3,5,7,10,12,14,17(21),18-nonaene is c1ccc(N2c3cccc(c3)Nc3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of 2-phenyl-9-oxa-2,16-diazatetracyclo[15.3.1.03,8.010,15]henicosa-1(20),3,5,7,10,12,14,17(21),18-nonaene?
The InChIKey is KTARGHOYZHYAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O/c1-2-10-19(11-3-1)26-20-12-8-9-18(17-20)25-21-13-4-6-15-23(21)27-24-16-7-5-14-22(24)26/h1-17,25H.
What are the key properties of 2-phenyl-9-oxa-2,16-diazatetracyclo[15.3.1.03,8.010,15]henicosa-1(20),3,5,7,10,12,14,17(21),18-nonaene?
2-phenyl-9-oxa-2,16-diazatetracyclo[15.3.1.03,8.010,15]henicosa-1(20),3,5,7,10,12,14,17(21),18-nonaene has a molecular weight of 350.42 g/mol, XLogP of 7.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-9-oxa-2,16-diazatetracyclo[15.3.1.03,8.010,15]henicosa-1(20),3,5,7,10,12,14,17(21),18-nonaene is sourced from PubChem (CID 170666880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).