9-dibenzofuran-4-yl-9-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene

C35H21NO — CID 159932126

IUPAC9-dibenzofuran-4-yl-9-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene
SMILESc1ccc2c(c1)Cc1c-2ccc2ccc3c(c4ccccc4n3-c3cccc4c3oc3ccccc34)c12
InChIInChI=1S/C35H21NO/c1-2-9-23-22(8-1)20-28-24(23)18-16-21-17-19-30-34(33(21)28)27-11-3-5-13-29(27)36(30)31-14-7-12-26-25-10-4-6-15-32(25)37-35(26)31/h1-19H,20H2
InChIKeyYMLCLLUUYXZTIN-UHFFFAOYSA-N
MW471.56 g/mol
LogP9.41
Rot. Bonds1

About 9-dibenzofuran-4-yl-9-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene

9-dibenzofuran-4-yl-9-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene (PubChem CID 159932126) has the molecular formula C35H21NO and a molecular weight of 471.56 g/mol. Its IUPAC name is 9-dibenzofuran-4-yl-9-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene.

Molecular Properties

Compound Name9-dibenzofuran-4-yl-9-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene
PubChem CID159932126
Molecular FormulaC35H21NO
Molecular Weight471.56 g/mol
Exact Mass471.16
IUPAC Name9-dibenzofuran-4-yl-9-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene
SMILESc1ccc2c(c1)Cc1c-2ccc2ccc3c(c4ccccc4n3-c3cccc4c3oc3ccccc34)c12
InChIInChI=1S/C35H21NO/c1-2-9-23-22(8-1)20-28-24(23)18-16-21-17-19-30-34(33(21)28)27-11-3-5-13-29(27)36(30)31-14-7-12-26-25-10-4-6-15-32(25)37-35(26)31/h1-19H,20H2
InChIKeyYMLCLLUUYXZTIN-UHFFFAOYSA-N
XLogP9.41
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.56
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-dibenzofuran-4-yl-9-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene with MolForge

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Related Compounds

9,14-bis(9H-fluoren-1-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 130432276
9-dibenzofuran-4-yl-23,23-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene
CID 122464597
2-dibenzofuran-4-yl-1-(9H-fluoren-1-yl)benzimidazole
CID 167355258
9-dibenzofuran-4-yl-14-(4-naphthalen-1-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167029631
carbanide;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-oxa-9-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene
CID 159261054
9-dibenzofuran-4-yl-14-(4-methylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126501186
9-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
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12-dibenzofuran-1-yl-5-dibenzofuran-4-ylindolo[3,2-c]carbazole
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Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-4-yl-9-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene?
The IUPAC name of 9-dibenzofuran-4-yl-9-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene (CID 159932126) is 9-dibenzofuran-4-yl-9-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene.
What is the SMILES notation for 9-dibenzofuran-4-yl-9-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene?
The canonical SMILES for 9-dibenzofuran-4-yl-9-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene is c1ccc2c(c1)Cc1c-2ccc2ccc3c(c4ccccc4n3-c3cccc4c3oc3ccccc34)c12.
What is the InChIKey of 9-dibenzofuran-4-yl-9-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene?
The InChIKey is YMLCLLUUYXZTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21NO/c1-2-9-23-22(8-1)20-28-24(23)18-16-21-17-19-30-34(33(21)28)27-11-3-5-13-29(27)36(30)31-14-7-12-26-25-10-4-6-15-32(25)37-35(26)31/h1-19H,20H2.
What are the key properties of 9-dibenzofuran-4-yl-9-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene?
9-dibenzofuran-4-yl-9-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene has a molecular weight of 471.56 g/mol, XLogP of 9.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-4-yl-9-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene is sourced from PubChem (CID 159932126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).