9-(9,9-dimethylfluoren-2-yl)-14-[3-(8-phenyl-9H-fluoren-1-yl)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

C58H40N2 — CID 134488168

About 9-(9,9-dimethylfluoren-2-yl)-14-[3-(8-phenyl-9H-fluoren-1-yl)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

9-(9,9-dimethylfluoren-2-yl)-14-[3-(8-phenyl-9H-fluoren-1-yl)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 (PubChem CID 134488168) has the molecular formula C58H40N2 and a molecular weight of 764.97 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-14-[3-(8-phenyl-9H-fluoren-1-yl)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.

Molecular Properties

• Compound Name: 9-(9,9-dimethylfluoren-2-yl)-14-[3-(8-phenyl-9H-fluoren-1-yl)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
• PubChem CID: 134488168
• Molecular Formula: C58H40N2
• Molecular Weight: 764.97 g/mol
• Exact Mass: 764.32
• IUPAC Name: 9-(9,9-dimethylfluoren-2-yl)-14-[3-(8-phenyl-9H-fluoren-1-yl)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
• SMILES: CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc(-c7cccc8c7Cc7c(-c9ccccc9)cccc7-8)c6)c5ccc43)cc21
• InChI: InChI=1S/C58H40N2/c1-58(2)50-26-9-6-19-44(50)45-30-29-39(34-51(45)58)60-53-28-11-8-21-47(53)57-55(60)32-31-54-56(57)46-20-7-10-27-52(46)59(54)38-18-12-17-37(33-38)41-23-14-25-43-42-24-13-22-40(48(42)35-49(41)43)36-15-4-3-5-16-36/h3-34H,35H2,1-2H3
• InChIKey: UIIQXZDWWVOIIM-UHFFFAOYSA-N
• XLogP: 15.09
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	764.97
LogP ≤ 5	15.09
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-[3-(8-phenyl-9H-fluoren-1-yl)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?

The IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-14-[3-(8-phenyl-9H-fluoren-1-yl)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 (CID 134488168) is 9-(9,9-dimethylfluoren-2-yl)-14-[3-(8-phenyl-9H-fluoren-1-yl)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.

What is the SMILES notation for 9-(9,9-dimethylfluoren-2-yl)-14-[3-(8-phenyl-9H-fluoren-1-yl)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?

The canonical SMILES for 9-(9,9-dimethylfluoren-2-yl)-14-[3-(8-phenyl-9H-fluoren-1-yl)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 is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc(-c7cccc8c7Cc7c(-c9ccccc9)cccc7-8)c6)c5ccc43)cc21.

What is the InChIKey of 9-(9,9-dimethylfluoren-2-yl)-14-[3-(8-phenyl-9H-fluoren-1-yl)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?

The InChIKey is UIIQXZDWWVOIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2/c1-58(2)50-26-9-6-19-44(50)45-30-29-39(34-51(45)58)60-53-28-11-8-21-47(53)57-55(60)32-31-54-56(57)46-20-7-10-27-52(46)59(54)38-18-12-17-37(33-38)41-23-14-25-43-42-24-13-22-40(48(42)35-49(41)43)36-15-4-3-5-16-36/h3-34H,35H2,1-2H3.

What are the key properties of 9-(9,9-dimethylfluoren-2-yl)-14-[3-(8-phenyl-9H-fluoren-1-yl)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?

9-(9,9-dimethylfluoren-2-yl)-14-[3-(8-phenyl-9H-fluoren-1-yl)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 has a molecular weight of 764.97 g/mol, XLogP of 15.09, 4 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-[3-(8-phenyl-9H-fluoren-1-yl)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 is sourced from PubChem (CID 134488168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).