17,19-bis(9,9-diphenylfluoren-4-yl)-4,11-bis[2-(trifluoromethyl)phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene

C82H48F6N2S — CID 155466929

About 17,19-bis(9,9-diphenylfluoren-4-yl)-4,11-bis[2-(trifluoromethyl)phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene

17,19-bis(9,9-diphenylfluoren-4-yl)-4,11-bis[2-(trifluoromethyl)phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene (PubChem CID 155466929) has the molecular formula C82H48F6N2S and a molecular weight of 1207.36 g/mol. Its IUPAC name is 17,19-bis(9,9-diphenylfluoren-4-yl)-4,11-bis[2-(trifluoromethyl)phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene.

Molecular Properties

• Compound Name: 17,19-bis(9,9-diphenylfluoren-4-yl)-4,11-bis[2-(trifluoromethyl)phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene
• PubChem CID: 155466929
• Molecular Formula: C82H48F6N2S
• Molecular Weight: 1207.36 g/mol
• Exact Mass: 1206.34
• IUPAC Name: 17,19-bis(9,9-diphenylfluoren-4-yl)-4,11-bis[2-(trifluoromethyl)phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene
• SMILES: FC(F)(F)c1ccccc1-c1ccc2c3ccc(-c4ccccc4C(F)(F)F)cc3c3nc4c(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)sc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)c4nc3c2c1
• InChI: InChI=1S/C82H48F6N2S/c83-81(84,85)67-39-19-13-31-55(67)49-43-45-57-58-46-44-50(56-32-14-20-40-68(56)82(86,87)88)48-64(58)74-73(63(57)47-49)89-75-76(90-74)78(62-36-22-42-70-72(62)60-34-16-18-38-66(60)80(70,53-27-9-3-10-28-53)54-29-11-4-12-30-54)91-77(75)61-35-21-41-69-71(61)59-33-15-17-37-65(59)79(69,51-23-5-1-6-24-51)52-25-7-2-8-26-52/h1-48H
• InChIKey: QUWGIONKXPDMJX-UHFFFAOYSA-N
• XLogP: 22.58
• TPSA: 25.78 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1207.36
LogP ≤ 5	22.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 17,19-bis(9,9-diphenylfluoren-4-yl)-4,11-bis[2-(trifluoromethyl)phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene?

The IUPAC name of 17,19-bis(9,9-diphenylfluoren-4-yl)-4,11-bis[2-(trifluoromethyl)phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene (CID 155466929) is 17,19-bis(9,9-diphenylfluoren-4-yl)-4,11-bis[2-(trifluoromethyl)phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene.

What is the SMILES notation for 17,19-bis(9,9-diphenylfluoren-4-yl)-4,11-bis[2-(trifluoromethyl)phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene?

The canonical SMILES for 17,19-bis(9,9-diphenylfluoren-4-yl)-4,11-bis[2-(trifluoromethyl)phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene is FC(F)(F)c1ccccc1-c1ccc2c3ccc(-c4ccccc4C(F)(F)F)cc3c3nc4c(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)sc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)c4nc3c2c1.

What is the InChIKey of 17,19-bis(9,9-diphenylfluoren-4-yl)-4,11-bis[2-(trifluoromethyl)phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene?

The InChIKey is QUWGIONKXPDMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H48F6N2S/c83-81(84,85)67-39-19-13-31-55(67)49-43-45-57-58-46-44-50(56-32-14-20-40-68(56)82(86,87)88)48-64(58)74-73(63(57)47-49)89-75-76(90-74)78(62-36-22-42-70-72(62)60-34-16-18-38-66(60)80(70,53-27-9-3-10-28-53)54-29-11-4-12-30-54)91-77(75)61-35-21-41-69-71(61)59-33-15-17-37-65(59)79(69,51-23-5-1-6-24-51)52-25-7-2-8-26-52/h1-48H.

What are the key properties of 17,19-bis(9,9-diphenylfluoren-4-yl)-4,11-bis[2-(trifluoromethyl)phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene?

17,19-bis(9,9-diphenylfluoren-4-yl)-4,11-bis[2-(trifluoromethyl)phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene has a molecular weight of 1207.36 g/mol, XLogP of 22.58, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 17,19-bis(9,9-diphenylfluoren-4-yl)-4,11-bis[2-(trifluoromethyl)phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene is sourced from PubChem (CID 155466929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).