11-dibenzofuran-3-yl-1,11-diazaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene

C36H20N2O — CID 122594983

IUPAC11-dibenzofuran-3-yl-1,11-diazaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene
SMILESc1ccc2c(c1)oc1cc(-n3c4ccccc4c4cc5c(cc43)c3cccc4c6ccccc6n5c43)ccc12
InChIInChI=1S/C36H20N2O/c1-5-14-31-22(8-1)26-11-7-12-27-29-20-32-28(19-33(29)38(31)36(26)27)23-9-2-4-13-30(23)37(32)21-16-17-25-24-10-3-6-15-34(24)39-35(25)18-21/h1-20H
InChIKeyBAHDOEDZLKWJCP-UHFFFAOYSA-N
MW496.57 g/mol
LogP9.83
Rot. Bonds1

About 11-dibenzofuran-3-yl-1,11-diazaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene

11-dibenzofuran-3-yl-1,11-diazaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene (PubChem CID 122594983) has the molecular formula C36H20N2O and a molecular weight of 496.57 g/mol. Its IUPAC name is 11-dibenzofuran-3-yl-1,11-diazaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene.

Molecular Properties

Compound Name11-dibenzofuran-3-yl-1,11-diazaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene
PubChem CID122594983
Molecular FormulaC36H20N2O
Molecular Weight496.57 g/mol
Exact Mass496.16
IUPAC Name11-dibenzofuran-3-yl-1,11-diazaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene
SMILESc1ccc2c(c1)oc1cc(-n3c4ccccc4c4cc5c(cc43)c3cccc4c6ccccc6n5c43)ccc12
InChIInChI=1S/C36H20N2O/c1-5-14-31-22(8-1)26-11-7-12-27-29-20-32-28(19-33(29)38(31)36(26)27)23-9-2-4-13-30(23)37(32)21-16-17-25-24-10-3-6-15-34(24)39-35(25)18-21/h1-20H
InChIKeyBAHDOEDZLKWJCP-UHFFFAOYSA-N
XLogP9.83
TPSA22.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.57
LogP ≤ 59.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 11-dibenzofuran-3-yl-1,11-diazaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene with MolForge

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Related Compounds

5-(9-dibenzofuran-3-ylcarbazol-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 122594946
10-dibenzofuran-3-yl-10,15-diazaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16,18,20,22(26),23-dodecaene;11-dibenzofuran-3-yl-1,11-diazaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene;23-dibenzofuran-3-yl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene
CID 163891075
11,24-di(carbazol-9-yl)-8-oxa-15-azahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaene
CID 177285210
4-(3-carbazol-9-ylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 118422803
3-carbazol-9-yl-9-(7-carbazol-9-yldibenzofuran-3-yl)carbazole
CID 123285372
3-dibenzofuran-3-yl-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
CID 122465434
15-(9-dibenzofuran-3-ylcarbazol-3-yl)-11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 174349854
9-(17-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole
CID 59147323
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N-[4-(4-carbazol-9-ylphenyl)phenyl]dibenzofuran-3-amine
CID 118180067
5-dibenzofuran-3-yl-7-(3-phenylphenyl)indolo[2,3-b]carbazole;5-dibenzofuran-3-yl-7-(4-phenylphenyl)indolo[2,3-b]carbazole;11-dibenzofuran-3-yl-5-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 163829612
5-dibenzofuran-3-yl-7-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 122594976
11-phenyl-1,11,15-triazadecacyclo[25.10.1.115,22.02,14.04,12.05,10.016,21.031,38.032,37.026,39]nonatriaconta-2(14),3,5,7,9,12,16,18,20,22(39),23,25,27,29,31(38),32,34,36-octadecaene
CID 118186719

Frequently Asked Questions

What is the IUPAC name of 11-dibenzofuran-3-yl-1,11-diazaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene?
The IUPAC name of 11-dibenzofuran-3-yl-1,11-diazaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene (CID 122594983) is 11-dibenzofuran-3-yl-1,11-diazaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene.
What is the SMILES notation for 11-dibenzofuran-3-yl-1,11-diazaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene?
The canonical SMILES for 11-dibenzofuran-3-yl-1,11-diazaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene is c1ccc2c(c1)oc1cc(-n3c4ccccc4c4cc5c(cc43)c3cccc4c6ccccc6n5c43)ccc12.
What is the InChIKey of 11-dibenzofuran-3-yl-1,11-diazaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene?
The InChIKey is BAHDOEDZLKWJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20N2O/c1-5-14-31-22(8-1)26-11-7-12-27-29-20-32-28(19-33(29)38(31)36(26)27)23-9-2-4-13-30(23)37(32)21-16-17-25-24-10-3-6-15-34(24)39-35(25)18-21/h1-20H.
What are the key properties of 11-dibenzofuran-3-yl-1,11-diazaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene?
11-dibenzofuran-3-yl-1,11-diazaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene has a molecular weight of 496.57 g/mol, XLogP of 9.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-dibenzofuran-3-yl-1,11-diazaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene is sourced from PubChem (CID 122594983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).