9-(9,9-dimethylfluoren-2-yl)-14-methyl-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

C34H26N2 — CID 126501110

About 9-(9,9-dimethylfluoren-2-yl)-14-methyl-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-(9,9-dimethylfluoren-2-yl)-14-methyl-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 126501110) has the molecular formula C34H26N2 and a molecular weight of 462.60 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-14-methyl-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-(9,9-dimethylfluoren-2-yl)-14-methyl-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: 126501110
• Molecular Formula: C34H26N2
• Molecular Weight: 462.60 g/mol
• Exact Mass: 462.21
• IUPAC Name: 9-(9,9-dimethylfluoren-2-yl)-14-methyl-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: Cn1c2ccccc2c2c3c4ccccc4n(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3ccc21
• InChI: InChI=1S/C34H26N2/c1-34(2)26-13-7-4-10-22(26)23-17-16-21(20-27(23)34)36-29-15-9-6-12-25(29)33-31(36)19-18-30-32(33)24-11-5-8-14-28(24)35(30)3/h4-20H,1-3H3
• InChIKey: ZSCKVEYNEOSPGS-UHFFFAOYSA-N
• XLogP: 8.73
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.60
LogP ≤ 5	8.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-14-methyl-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-(9,9-dimethylfluoren-2-yl)-14-methyl-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 126501110) is 9-(9,9-dimethylfluoren-2-yl)-14-methyl-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-(9,9-dimethylfluoren-2-yl)-14-methyl-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-(9,9-dimethylfluoren-2-yl)-14-methyl-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 Cn1c2ccccc2c2c3c4ccccc4n(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3ccc21.

What is the InChIKey of 9-(9,9-dimethylfluoren-2-yl)-14-methyl-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 ZSCKVEYNEOSPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N2/c1-34(2)26-13-7-4-10-22(26)23-17-16-21(20-27(23)34)36-29-15-9-6-12-25(29)33-31(36)19-18-30-32(33)24-11-5-8-14-28(24)35(30)3/h4-20H,1-3H3.

What are the key properties of 9-(9,9-dimethylfluoren-2-yl)-14-methyl-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-(9,9-dimethylfluoren-2-yl)-14-methyl-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 462.60 g/mol, XLogP of 8.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(9,9-dimethylfluoren-2-yl)-14-methyl-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 126501110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).