9-phenyl-14-[3-[8-(3-phenylphenyl)-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

C55H36N2 — CID 134488188

About 9-phenyl-14-[3-[8-(3-phenylphenyl)-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-phenyl-14-[3-[8-(3-phenylphenyl)-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 134488188) has the molecular formula C55H36N2 and a molecular weight of 724.91 g/mol. Its IUPAC name is 9-phenyl-14-[3-[8-(3-phenylphenyl)-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-phenyl-14-[3-[8-(3-phenylphenyl)-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: 134488188
• Molecular Formula: C55H36N2
• Molecular Weight: 724.91 g/mol
• Exact Mass: 724.29
• IUPAC Name: 9-phenyl-14-[3-[8-(3-phenylphenyl)-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: c1ccc(-c2cccc(-c3cccc4c3Cc3c(-c5cccc(-n6c7ccccc7c7c8c9ccccc9n(-c9ccccc9)c8ccc76)c5)cccc3-4)c2)cc1
• InChI: InChI=1S/C55H36N2/c1-3-15-36(16-4-1)37-17-11-18-38(33-37)42-25-13-27-44-45-28-14-26-43(49(45)35-48(42)44)39-19-12-22-41(34-39)57-51-30-10-8-24-47(51)55-53(57)32-31-52-54(55)46-23-7-9-29-50(46)56(52)40-20-5-2-6-21-40/h1-34H,35H2
• InChIKey: LDVNBXAVDZTPAY-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-phenyl-14-[3-[8-(3-phenylphenyl)-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-phenyl-14-[3-[8-(3-phenylphenyl)-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 134488188) is 9-phenyl-14-[3-[8-(3-phenylphenyl)-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-phenyl-14-[3-[8-(3-phenylphenyl)-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-phenyl-14-[3-[8-(3-phenylphenyl)-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 c1ccc(-c2cccc(-c3cccc4c3Cc3c(-c5cccc(-n6c7ccccc7c7c8c9ccccc9n(-c9ccccc9)c8ccc76)c5)cccc3-4)c2)cc1.

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

What are the key properties of 9-phenyl-14-[3-[8-(3-phenylphenyl)-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-phenyl-14-[3-[8-(3-phenylphenyl)-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 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-phenyl-14-[3-[8-(3-phenylphenyl)-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 134488188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).