5,10-bis(2-phenylphenoxy)-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-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

C92H54N2O2S — CID 155466914

About 5,10-bis(2-phenylphenoxy)-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-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

5,10-bis(2-phenylphenoxy)-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-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 155466914) has the molecular formula C92H54N2O2S and a molecular weight of 1251.52 g/mol. Its IUPAC name is 5,10-bis(2-phenylphenoxy)-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-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: 5,10-bis(2-phenylphenoxy)-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-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: 155466914
• Molecular Formula: C92H54N2O2S
• Molecular Weight: 1251.52 g/mol
• Exact Mass: 1250.39
• IUPAC Name: 5,10-bis(2-phenylphenoxy)-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-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: c1ccc(-c2ccccc2Oc2ccc3c(c2)c2cc(Oc4ccccc4-c4ccccc4)ccc2c2nc4c(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)sc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c4nc32)cc1
• InChI: InChI=1S/C92H54N2O2S/c1-3-25-55(26-4-1)59-29-13-21-47-81(59)95-57-49-51-65-71(53-57)72-54-58(96-82-48-22-14-30-60(82)56-27-5-2-6-28-56)50-52-66(72)86-85(65)93-87-88(94-86)90(70-38-24-46-80-84(70)68-36-12-20-44-78(68)92(80)75-41-17-9-33-63(75)64-34-10-18-42-76(64)92)97-89(87)69-37-23-45-79-83(69)67-35-11-19-43-77(67)91(79)73-39-15-7-31-61(73)62-32-8-16-40-74(62)91/h1-54H
• InChIKey: GYMRXIVYHSKOOW-UHFFFAOYSA-N
• XLogP: 24.09
• TPSA: 44.24 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1251.52
LogP ≤ 5	24.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,10-bis(2-phenylphenoxy)-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-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 5,10-bis(2-phenylphenoxy)-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-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 155466914) is 5,10-bis(2-phenylphenoxy)-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-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 5,10-bis(2-phenylphenoxy)-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-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 5,10-bis(2-phenylphenoxy)-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-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 c1ccc(-c2ccccc2Oc2ccc3c(c2)c2cc(Oc4ccccc4-c4ccccc4)ccc2c2nc4c(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)sc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c4nc32)cc1.

What is the InChIKey of 5,10-bis(2-phenylphenoxy)-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-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 GYMRXIVYHSKOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H54N2O2S/c1-3-25-55(26-4-1)59-29-13-21-47-81(59)95-57-49-51-65-71(53-57)72-54-58(96-82-48-22-14-30-60(82)56-27-5-2-6-28-56)50-52-66(72)86-85(65)93-87-88(94-86)90(70-38-24-46-80-84(70)68-36-12-20-44-78(68)92(80)75-41-17-9-33-63(75)64-34-10-18-42-76(64)92)97-89(87)69-37-23-45-79-83(69)67-35-11-19-43-77(67)91(79)73-39-15-7-31-61(73)62-32-8-16-40-74(62)91/h1-54H.

What are the key properties of 5,10-bis(2-phenylphenoxy)-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-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?

5,10-bis(2-phenylphenoxy)-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-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 1251.52 g/mol, XLogP of 24.09, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5,10-bis(2-phenylphenoxy)-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-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 155466914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).