9-dibenzofuran-4-yl-6,15,15,24-tetramethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,7,11,14(22),16,18,20-nonaene

C39H33NO — CID 144995604

About 9-dibenzofuran-4-yl-6,15,15,24-tetramethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,7,11,14(22),16,18,20-nonaene

9-dibenzofuran-4-yl-6,15,15,24-tetramethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,7,11,14(22),16,18,20-nonaene (PubChem CID 144995604) has the molecular formula C39H33NO and a molecular weight of 531.70 g/mol. Its IUPAC name is 9-dibenzofuran-4-yl-6,15,15,24-tetramethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,7,11,14(22),16,18,20-nonaene.

Molecular Properties

• Compound Name: 9-dibenzofuran-4-yl-6,15,15,24-tetramethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,7,11,14(22),16,18,20-nonaene
• PubChem CID: 144995604
• Molecular Formula: C39H33NO
• Molecular Weight: 531.70 g/mol
• Exact Mass: 531.26
• IUPAC Name: 9-dibenzofuran-4-yl-6,15,15,24-tetramethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,7,11,14(22),16,18,20-nonaene
• SMILES: CC1C=c2c(c3c4c(ccc3n2-c2cccc3c2oc2ccccc23)C2=C(CC4C)c3ccccc3C2(C)C)=CC1
• InChI: InChI=1S/C39H33NO/c1-22-16-17-27-33(20-22)40(32-14-9-12-26-25-11-6-8-15-34(25)41-38(26)32)31-19-18-28-35(36(27)31)23(2)21-29-24-10-5-7-13-30(24)39(3,4)37(28)29/h5-15,17-20,22-23H,16,21H2,1-4H3
• InChIKey: ABJOYSROZZQSME-UHFFFAOYSA-N
• XLogP: 8.84
• TPSA: 18.07 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.70
LogP ≤ 5	8.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-4-yl-6,15,15,24-tetramethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,7,11,14(22),16,18,20-nonaene?

The IUPAC name of 9-dibenzofuran-4-yl-6,15,15,24-tetramethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,7,11,14(22),16,18,20-nonaene (CID 144995604) is 9-dibenzofuran-4-yl-6,15,15,24-tetramethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,7,11,14(22),16,18,20-nonaene.

What is the SMILES notation for 9-dibenzofuran-4-yl-6,15,15,24-tetramethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,7,11,14(22),16,18,20-nonaene?

The canonical SMILES for 9-dibenzofuran-4-yl-6,15,15,24-tetramethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,7,11,14(22),16,18,20-nonaene is CC1C=c2c(c3c4c(ccc3n2-c2cccc3c2oc2ccccc23)C2=C(CC4C)c3ccccc3C2(C)C)=CC1.

What is the InChIKey of 9-dibenzofuran-4-yl-6,15,15,24-tetramethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,7,11,14(22),16,18,20-nonaene?

The InChIKey is ABJOYSROZZQSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H33NO/c1-22-16-17-27-33(20-22)40(32-14-9-12-26-25-11-6-8-15-34(25)41-38(26)32)31-19-18-28-35(36(27)31)23(2)21-29-24-10-5-7-13-30(24)39(3,4)37(28)29/h5-15,17-20,22-23H,16,21H2,1-4H3.

What are the key properties of 9-dibenzofuran-4-yl-6,15,15,24-tetramethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,7,11,14(22),16,18,20-nonaene?

9-dibenzofuran-4-yl-6,15,15,24-tetramethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,7,11,14(22),16,18,20-nonaene has a molecular weight of 531.70 g/mol, XLogP of 8.84, 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-6,15,15,24-tetramethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,7,11,14(22),16,18,20-nonaene is sourced from PubChem (CID 144995604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).