20-naphthalen-2-yl-12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene

C28H17NO — CID 129229742

IUPAC20-naphthalen-2-yl-12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene
SMILESc1ccc2cc(-n3c4cccc5oc6ccccc6c6cccc3c6c54)ccc2c1
InChIInChI=1S/C28H17NO/c1-2-8-19-17-20(16-15-18(19)7-1)29-23-11-5-10-22-21-9-3-4-13-25(21)30-26-14-6-12-24(29)28(26)27(22)23/h1-17H
InChIKeyRQRBFPCGIWRQKG-UHFFFAOYSA-N
MW383.45 g/mol
LogP7.84
Rot. Bonds1

About 20-naphthalen-2-yl-12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene

20-naphthalen-2-yl-12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene (PubChem CID 129229742) has the molecular formula C28H17NO and a molecular weight of 383.45 g/mol. Its IUPAC name is 20-naphthalen-2-yl-12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene.

Molecular Properties

Compound Name20-naphthalen-2-yl-12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene
PubChem CID129229742
Molecular FormulaC28H17NO
Molecular Weight383.45 g/mol
Exact Mass383.13
IUPAC Name20-naphthalen-2-yl-12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene
SMILESc1ccc2cc(-n3c4cccc5oc6ccccc6c6cccc3c6c54)ccc2c1
InChIInChI=1S/C28H17NO/c1-2-8-19-17-20(16-15-18(19)7-1)29-23-11-5-10-22-21-9-3-4-13-25(21)30-26-14-6-12-24(29)28(26)27(22)23/h1-17H
InChIKeyRQRBFPCGIWRQKG-UHFFFAOYSA-N
XLogP7.84
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 20-naphthalen-2-yl-12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 20-naphthalen-2-yl-12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene?
The IUPAC name of 20-naphthalen-2-yl-12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene (CID 129229742) is 20-naphthalen-2-yl-12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene.
What is the SMILES notation for 20-naphthalen-2-yl-12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene?
The canonical SMILES for 20-naphthalen-2-yl-12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene is c1ccc2cc(-n3c4cccc5oc6ccccc6c6cccc3c6c54)ccc2c1.
What is the InChIKey of 20-naphthalen-2-yl-12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene?
The InChIKey is RQRBFPCGIWRQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17NO/c1-2-8-19-17-20(16-15-18(19)7-1)29-23-11-5-10-22-21-9-3-4-13-25(21)30-26-14-6-12-24(29)28(26)27(22)23/h1-17H.
What are the key properties of 20-naphthalen-2-yl-12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene?
20-naphthalen-2-yl-12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene has a molecular weight of 383.45 g/mol, XLogP of 7.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 20-naphthalen-2-yl-12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene is sourced from PubChem (CID 129229742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).