9-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-14-(4-phenylphenyl)-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

C55H36N2 — CID 134488216

About 9-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-14-(4-phenylphenyl)-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-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-14-(4-phenylphenyl)-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 134488216) has the molecular formula C55H36N2 and a molecular weight of 724.91 g/mol. Its IUPAC name is 9-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-14-(4-phenylphenyl)-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-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-14-(4-phenylphenyl)-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: 134488216
• Molecular Formula: C55H36N2
• Molecular Weight: 724.91 g/mol
• Exact Mass: 724.29
• IUPAC Name: 9-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-14-(4-phenylphenyl)-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: c1ccc(-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccc(-c7cccc8c7Cc7c(-c9ccccc9)cccc7-8)cc6)c5ccc43)cc2)cc1
• InChI: InChI=1S/C55H36N2/c1-3-13-36(14-4-1)37-25-29-40(30-26-37)56-50-23-9-7-17-46(50)54-52(56)33-34-53-55(54)47-18-8-10-24-51(47)57(53)41-31-27-39(28-32-41)43-20-12-22-45-44-21-11-19-42(48(44)35-49(43)45)38-15-5-2-6-16-38/h1-34H,35H2
• InChIKey: FOLXQQWCOXUECX-UHFFFAOYSA-N
• XLogP: 14.45
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	724.91
LogP ≤ 5	14.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-14-(4-phenylphenyl)-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-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-14-(4-phenylphenyl)-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 134488216) is 9-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-14-(4-phenylphenyl)-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-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-14-(4-phenylphenyl)-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-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-14-(4-phenylphenyl)-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 c1ccc(-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccc(-c7cccc8c7Cc7c(-c9ccccc9)cccc7-8)cc6)c5ccc43)cc2)cc1.

What is the InChIKey of 9-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-14-(4-phenylphenyl)-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 FOLXQQWCOXUECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2/c1-3-13-36(14-4-1)37-25-29-40(30-26-37)56-50-23-9-7-17-46(50)54-52(56)33-34-53-55(54)47-18-8-10-24-51(47)57(53)41-31-27-39(28-32-41)43-20-12-22-45-44-21-11-19-42(48(44)35-49(43)45)38-15-5-2-6-16-38/h1-34H,35H2.

What are the key properties of 9-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-14-(4-phenylphenyl)-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-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-14-(4-phenylphenyl)-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 724.91 g/mol, XLogP of 14.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-14-(4-phenylphenyl)-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 134488216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).