10-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenothiazine

C69H50N2S — CID 91109293

About 10-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenothiazine

10-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenothiazine (PubChem CID 91109293) has the molecular formula C69H50N2S and a molecular weight of 939.24 g/mol. Its IUPAC name is 10-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenothiazine.

Molecular Properties

• Compound Name: 10-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenothiazine
• PubChem CID: 91109293
• Molecular Formula: C69H50N2S
• Molecular Weight: 939.24 g/mol
• Exact Mass: 938.37
• IUPAC Name: 10-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenothiazine
• SMILES: C(=Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(N3CCCc4ccccc43)ccc1-2)c1ccc2c(c1)C1(Cc3ccccc3C1)c1cc(N3c4ccccc4Sc4ccccc43)ccc1-2
• InChI: InChI=1S/C69H50N2S/c1-3-20-51(21-4-1)69(52-22-5-2-6-23-52)61-41-47(32-36-57(61)58-37-33-53(42-62(58)69)70-39-15-19-48-16-9-10-24-63(48)70)30-29-46-31-35-55-56-38-34-54(71-64-25-11-13-27-66(64)72-67-28-14-12-26-65(67)71)43-60(56)68(59(55)40-46)44-49-17-7-8-18-50(49)45-68/h1-14,16-18,20-38,40-43H,15,19,39,44-45H2
• InChIKey: YNQUCLBKDGDMTN-UHFFFAOYSA-N
• XLogP: 17.30
• TPSA: 6.48 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	939.24
LogP ≤ 5	17.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenothiazine?

The IUPAC name of 10-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenothiazine (CID 91109293) is 10-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenothiazine.

What is the SMILES notation for 10-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenothiazine?

The canonical SMILES for 10-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenothiazine is C(=Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(N3CCCc4ccccc43)ccc1-2)c1ccc2c(c1)C1(Cc3ccccc3C1)c1cc(N3c4ccccc4Sc4ccccc43)ccc1-2.

What is the InChIKey of 10-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenothiazine?

The InChIKey is YNQUCLBKDGDMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H50N2S/c1-3-20-51(21-4-1)69(52-22-5-2-6-23-52)61-41-47(32-36-57(61)58-37-33-53(42-62(58)69)70-39-15-19-48-16-9-10-24-63(48)70)30-29-46-31-35-55-56-38-34-54(71-64-25-11-13-27-66(64)72-67-28-14-12-26-65(67)71)43-60(56)68(59(55)40-46)44-49-17-7-8-18-50(49)45-68/h1-14,16-18,20-38,40-43H,15,19,39,44-45H2.

What are the key properties of 10-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenothiazine?

10-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenothiazine has a molecular weight of 939.24 g/mol, XLogP of 17.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenothiazine is sourced from PubChem (CID 91109293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).