2-(3,19-dioxa-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaen-11-yl)benzene-1,3-dicarbonitrile

C24H11N3O2 — CID 145009875

IUPAC2-(3,19-dioxa-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaen-11-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-n1c2c3ccccc3oc2c2oc3ccccc3c21
InChIInChI=1S/C24H11N3O2/c25-12-14-6-5-7-15(13-26)20(14)27-21-16-8-1-3-10-18(16)28-23(21)24-22(27)17-9-2-4-11-19(17)29-24/h1-11H
InChIKeyYLEFTZHMCNBDPP-UHFFFAOYSA-N
MW373.37 g/mol
LogP6.02
Rot. Bonds1

About 2-(3,19-dioxa-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaen-11-yl)benzene-1,3-dicarbonitrile

2-(3,19-dioxa-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaen-11-yl)benzene-1,3-dicarbonitrile (PubChem CID 145009875) has the molecular formula C24H11N3O2 and a molecular weight of 373.37 g/mol. Its IUPAC name is 2-(3,19-dioxa-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaen-11-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-(3,19-dioxa-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaen-11-yl)benzene-1,3-dicarbonitrile
PubChem CID145009875
Molecular FormulaC24H11N3O2
Molecular Weight373.37 g/mol
Exact Mass373.09
IUPAC Name2-(3,19-dioxa-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaen-11-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-n1c2c3ccccc3oc2c2oc3ccccc3c21
InChIInChI=1S/C24H11N3O2/c25-12-14-6-5-7-15(13-26)20(14)27-21-16-8-1-3-10-18(16)28-23(21)24-22(27)17-9-2-4-11-19(17)29-24/h1-11H
InChIKeyYLEFTZHMCNBDPP-UHFFFAOYSA-N
XLogP6.02
TPSA78.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.37
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3,19-dioxa-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaen-11-yl)benzene-1,3-dicarbonitrile with MolForge

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Related Compounds

11-phenyl-3,19-dioxa-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 143805499
2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-isocyanophenyl]benzonitrile
CID 140794021
3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile
CID 129299824
5-carbazol-9-yl-2-(1-dibenzofuran-4-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 163502048
2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-cyanophenyl]benzonitrile
CID 129300362
2-(21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-21-yl)benzene-1,3-dicarbonitrile
CID 121324496
2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile
CID 153461916
5-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile
CID 129290853
9-(6-cyanodibenzofuran-2-yl)carbazole-1-carbonitrile
CID 122498876
2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-(4-carbazol-9-yl-3-isocyanophenyl)benzonitrile
CID 140793922
9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole-1-carbonitrile
CID 118396693
3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyanophenyl]benzonitrile
CID 129291177

Frequently Asked Questions

What is the IUPAC name of 2-(3,19-dioxa-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaen-11-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 2-(3,19-dioxa-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaen-11-yl)benzene-1,3-dicarbonitrile (CID 145009875) is 2-(3,19-dioxa-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaen-11-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-(3,19-dioxa-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaen-11-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-(3,19-dioxa-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaen-11-yl)benzene-1,3-dicarbonitrile is N#Cc1cccc(C#N)c1-n1c2c3ccccc3oc2c2oc3ccccc3c21.
What is the InChIKey of 2-(3,19-dioxa-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaen-11-yl)benzene-1,3-dicarbonitrile?
The InChIKey is YLEFTZHMCNBDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H11N3O2/c25-12-14-6-5-7-15(13-26)20(14)27-21-16-8-1-3-10-18(16)28-23(21)24-22(27)17-9-2-4-11-19(17)29-24/h1-11H.
What are the key properties of 2-(3,19-dioxa-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaen-11-yl)benzene-1,3-dicarbonitrile?
2-(3,19-dioxa-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaen-11-yl)benzene-1,3-dicarbonitrile has a molecular weight of 373.37 g/mol, XLogP of 6.02, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,19-dioxa-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaen-11-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 145009875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).