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

C44H28N2 — CID 130432276

About 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

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 (PubChem CID 130432276) has the molecular formula C44H28N2 and a molecular weight of 584.72 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 130432276
• Molecular Formula: C44H28N2
• Molecular Weight: 584.72 g/mol
• Exact Mass: 584.23
• IUPAC Name: 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
• SMILES: c1ccc2c(c1)Cc1c-2cccc1-n1c2ccccc2c2c3c4ccccc4n(-c4cccc5c4Cc4ccccc4-5)c3ccc21
• InChI: InChI=1S/C44H28N2/c1-3-13-29-27(11-1)25-35-31(29)17-9-21-39(35)45-37-19-7-5-15-33(37)43-41(45)23-24-42-44(43)34-16-6-8-20-38(34)46(42)40-22-10-18-32-30-14-4-2-12-28(30)26-36(32)40/h1-24H,25-26H2
• InChIKey: KFGXGMROBFSGAI-UHFFFAOYSA-N
• XLogP: 11.02
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	584.72
LogP ≤ 5	11.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is c1ccc2c(c1)Cc1c-2cccc1-n1c2ccccc2c2c3c4ccccc4n(-c4cccc5c4Cc4ccccc4-5)c3ccc21.

What is the InChIKey of 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?

The InChIKey is KFGXGMROBFSGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2/c1-3-13-29-27(11-1)25-35-31(29)17-9-21-39(35)45-37-19-7-5-15-33(37)43-41(45)23-24-42-44(43)34-16-6-8-20-38(34)46(42)40-22-10-18-32-30-14-4-2-12-28(30)26-36(32)40/h1-24H,25-26H2.

What are the key properties of 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?

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 has a molecular weight of 584.72 g/mol, XLogP of 11.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 130432276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).