9-(1-phenyl-9H-fluoren-3-yl)-14-[3-(4-phenylphenyl)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

C55H36N2 — CID 134488174

About 9-(1-phenyl-9H-fluoren-3-yl)-14-[3-(4-phenylphenyl)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-(1-phenyl-9H-fluoren-3-yl)-14-[3-(4-phenylphenyl)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 134488174) has the molecular formula C55H36N2 and a molecular weight of 724.91 g/mol. Its IUPAC name is 9-(1-phenyl-9H-fluoren-3-yl)-14-[3-(4-phenylphenyl)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-(1-phenyl-9H-fluoren-3-yl)-14-[3-(4-phenylphenyl)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: 134488174
• Molecular Formula: C55H36N2
• Molecular Weight: 724.91 g/mol
• Exact Mass: 724.29
• IUPAC Name: 9-(1-phenyl-9H-fluoren-3-yl)-14-[3-(4-phenylphenyl)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: c1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5c6c7ccccc7n(-c7cc(-c8ccccc8)c8c(c7)-c7ccccc7C8)c6ccc54)c3)cc2)cc1
• InChI: InChI=1S/C55H36N2/c1-3-14-36(15-4-1)37-26-28-38(29-27-37)40-19-13-20-42(32-40)56-50-24-11-9-22-45(50)54-52(56)30-31-53-55(54)46-23-10-12-25-51(46)57(53)43-34-47(39-16-5-2-6-17-39)48-33-41-18-7-8-21-44(41)49(48)35-43/h1-32,34-35H,33H2
• InChIKey: OHGWJTLUXIEXLV-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-(1-phenyl-9H-fluoren-3-yl)-14-[3-(4-phenylphenyl)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-(1-phenyl-9H-fluoren-3-yl)-14-[3-(4-phenylphenyl)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 134488174) is 9-(1-phenyl-9H-fluoren-3-yl)-14-[3-(4-phenylphenyl)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-(1-phenyl-9H-fluoren-3-yl)-14-[3-(4-phenylphenyl)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-(1-phenyl-9H-fluoren-3-yl)-14-[3-(4-phenylphenyl)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 c1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5c6c7ccccc7n(-c7cc(-c8ccccc8)c8c(c7)-c7ccccc7C8)c6ccc54)c3)cc2)cc1.

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

What are the key properties of 9-(1-phenyl-9H-fluoren-3-yl)-14-[3-(4-phenylphenyl)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-(1-phenyl-9H-fluoren-3-yl)-14-[3-(4-phenylphenyl)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 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-(1-phenyl-9H-fluoren-3-yl)-14-[3-(4-phenylphenyl)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 134488174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).