4-dibenzofuran-4-yl-8,16-dioxa-5-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2,4,6,10,12,14-heptaene

C25H13NO3 — CID 162500362

IUPAC4-dibenzofuran-4-yl-8,16-dioxa-5-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2,4,6,10,12,14-heptaene
SMILESc1ccc2c(c1)oc1c(-c3cc4c(cn3)oc3c5ccccc5oc43)cccc12
InChIInChI=1S/C25H13NO3/c1-3-10-20-14(6-1)15-8-5-9-16(23(15)27-20)19-12-18-22(13-26-19)29-24-17-7-2-4-11-21(17)28-25(18)24/h1-13H
InChIKeyNBMPOCIBGLPXPD-UHFFFAOYSA-N
MW375.38 g/mol
LogP7.29
Rot. Bonds1

About 4-dibenzofuran-4-yl-8,16-dioxa-5-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2,4,6,10,12,14-heptaene

4-dibenzofuran-4-yl-8,16-dioxa-5-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2,4,6,10,12,14-heptaene (PubChem CID 162500362) has the molecular formula C25H13NO3 and a molecular weight of 375.38 g/mol. Its IUPAC name is 4-dibenzofuran-4-yl-8,16-dioxa-5-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2,4,6,10,12,14-heptaene.

Molecular Properties

Compound Name4-dibenzofuran-4-yl-8,16-dioxa-5-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2,4,6,10,12,14-heptaene
PubChem CID162500362
Molecular FormulaC25H13NO3
Molecular Weight375.38 g/mol
Exact Mass375.09
IUPAC Name4-dibenzofuran-4-yl-8,16-dioxa-5-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2,4,6,10,12,14-heptaene
SMILESc1ccc2c(c1)oc1c(-c3cc4c(cn3)oc3c5ccccc5oc43)cccc12
InChIInChI=1S/C25H13NO3/c1-3-10-20-14(6-1)15-8-5-9-16(23(15)27-20)19-12-18-22(13-26-19)29-24-17-7-2-4-11-21(17)28-25(18)24/h1-13H
InChIKeyNBMPOCIBGLPXPD-UHFFFAOYSA-N
XLogP7.29
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.38
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-dibenzofuran-4-yl-8,16-dioxa-5-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2,4,6,10,12,14-heptaene with MolForge

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Related Compounds

3-dibenzofuran-4-yl-[1]benzothiolo[3,2-c]pyridine
CID 170531478
5,15-di(dibenzofuran-4-yl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene
CID 164528112
2-dibenzofuran-4-ylpyridine
CID 59500175
2-dibenzofuran-4-yl-5-propan-2-ylpyridine
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5-tert-butyl-2-dibenzofuran-4-ylpyridine
CID 176637514
5-dibenzofuran-4-yl-2-(4-fluorophenyl)furo[2,3-c]pyridine
CID 155626390
4-benzyl-2-dibenzofuran-4-yl-5-methylpyridine
CID 162707040
3,4-dideuterio-2-dibenzofuran-4-yl-5-methylpyridine
CID 154588250
5-dibenzofuran-4-yl-4-azapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13-hexaene
CID 176845056
2-dibenzofuran-4-yl-5-naphthalen-2-ylpyridine
CID 171576906
4-(2-deuteriopropan-2-yl)-2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-5-(trideuteriomethyl)pyridine
CID 166588109
2-dibenzofuran-4-yl-5-fluoro-4-octylpyridine
CID 171576815

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-4-yl-8,16-dioxa-5-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2,4,6,10,12,14-heptaene?
The IUPAC name of 4-dibenzofuran-4-yl-8,16-dioxa-5-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2,4,6,10,12,14-heptaene (CID 162500362) is 4-dibenzofuran-4-yl-8,16-dioxa-5-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2,4,6,10,12,14-heptaene.
What is the SMILES notation for 4-dibenzofuran-4-yl-8,16-dioxa-5-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2,4,6,10,12,14-heptaene?
The canonical SMILES for 4-dibenzofuran-4-yl-8,16-dioxa-5-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2,4,6,10,12,14-heptaene is c1ccc2c(c1)oc1c(-c3cc4c(cn3)oc3c5ccccc5oc43)cccc12.
What is the InChIKey of 4-dibenzofuran-4-yl-8,16-dioxa-5-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2,4,6,10,12,14-heptaene?
The InChIKey is NBMPOCIBGLPXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H13NO3/c1-3-10-20-14(6-1)15-8-5-9-16(23(15)27-20)19-12-18-22(13-26-19)29-24-17-7-2-4-11-21(17)28-25(18)24/h1-13H.
What are the key properties of 4-dibenzofuran-4-yl-8,16-dioxa-5-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2,4,6,10,12,14-heptaene?
4-dibenzofuran-4-yl-8,16-dioxa-5-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2,4,6,10,12,14-heptaene has a molecular weight of 375.38 g/mol, XLogP of 7.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-4-yl-8,16-dioxa-5-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2,4,6,10,12,14-heptaene is sourced from PubChem (CID 162500362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).