10-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)phenothiazine

C55H35NS — CID 89368090

IUPAC10-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)phenothiazine
SMILESc1ccc(C2(c3ccccc3)c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)ccc3-c3ccc(N4c5ccccc5Sc5ccccc54)cc32)cc1
InChIInChI=1S/C55H35NS/c1-3-15-38(16-4-1)55(39-17-5-2-6-18-39)49-34-37(36-27-30-45-43-21-8-7-19-41(43)42-20-9-10-22-44(42)48(45)33-36)28-31-46(49)47-32-29-40(35-50(47)55)56-51-23-11-13-25-53(51)57-54-26-14-12-24-52(54)56/h1-35H
InChIKeyXRCDJDVSPUYNEK-UHFFFAOYSA-N
MW741.96 g/mol
LogP15.11
Rot. Bonds4

About 10-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)phenothiazine

10-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)phenothiazine (PubChem CID 89368090) has the molecular formula C55H35NS and a molecular weight of 741.96 g/mol. Its IUPAC name is 10-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)phenothiazine.

Molecular Properties

Compound Name10-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)phenothiazine
PubChem CID89368090
Molecular FormulaC55H35NS
Molecular Weight741.96 g/mol
Exact Mass741.25
IUPAC Name10-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)phenothiazine
SMILESc1ccc(C2(c3ccccc3)c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)ccc3-c3ccc(N4c5ccccc5Sc5ccccc54)cc32)cc1
InChIInChI=1S/C55H35NS/c1-3-15-38(16-4-1)55(39-17-5-2-6-18-39)49-34-37(36-27-30-45-43-21-8-7-19-41(43)42-20-9-10-22-44(42)48(45)33-36)28-31-46(49)47-32-29-40(35-50(47)55)56-51-23-11-13-25-53(51)57-54-26-14-12-24-52(54)56/h1-35H
InChIKeyXRCDJDVSPUYNEK-UHFFFAOYSA-N
XLogP15.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.96
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)triphenylene
CID 58795230
10-[4-(5,9,9-triphenylfluoren-2-yl)phenyl]phenothiazine
CID 155153839
2-[9,9-bis(4-methylphenyl)-7-triphenylen-2-ylfluoren-2-yl]triphenylene
CID 58795241
9,9-dimethyl-10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)acridine;9,9-dimethyl-10-(2',7,7'-trifluoro-9,9'-spirobi[fluorene]-2-yl)acridine;9,9-dimethyl-10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)acridine;10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)phenothiazine;10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)phenothiazine
CID 159439505
9,9-dimethyl-10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)acridine;9,9-dimethyl-10-(2',7,7'-trifluoro-9,9'-spirobi[fluorene]-2-yl)acridine;10-(2'-fluoro-7,7'-diphenyl-9,9'-spirobi[fluorene]-2-yl)-9,9-dimethylacridine;10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)phenothiazine;10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)phenothiazine
CID 159221701
10-(2'-phenothiazin-10-yl-9,9'-spirobi[fluorene]-4-yl)phenothiazine
CID 140915422
3-[3-[3-phenothiazin-10-yl-6-(N-phenylanilino)carbazol-9-yl]phenyl]-10,10-diphenylanthracen-9-one
CID 142288749
2-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenyl-10-(4-phenylphenyl)acridine
CID 71003881
9-[10-(4-phenylphenyl)phenothiazin-2-yl]-7-triphenylen-2-ylbenzo[c]phenothiazine
CID 155791240
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
10-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)phenothiazine
CID 89368097
10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9,10,10-tetramethylanthracen-2-yl]phenothiazine
CID 134578997

Frequently Asked Questions

What is the IUPAC name of 10-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)phenothiazine?
The IUPAC name of 10-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)phenothiazine (CID 89368090) is 10-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)phenothiazine.
What is the SMILES notation for 10-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)phenothiazine?
The canonical SMILES for 10-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)phenothiazine is c1ccc(C2(c3ccccc3)c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)ccc3-c3ccc(N4c5ccccc5Sc5ccccc54)cc32)cc1.
What is the InChIKey of 10-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)phenothiazine?
The InChIKey is XRCDJDVSPUYNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35NS/c1-3-15-38(16-4-1)55(39-17-5-2-6-18-39)49-34-37(36-27-30-45-43-21-8-7-19-41(43)42-20-9-10-22-44(42)48(45)33-36)28-31-46(49)47-32-29-40(35-50(47)55)56-51-23-11-13-25-53(51)57-54-26-14-12-24-52(54)56/h1-35H.
What are the key properties of 10-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)phenothiazine?
10-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)phenothiazine has a molecular weight of 741.96 g/mol, XLogP of 15.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)phenothiazine is sourced from PubChem (CID 89368090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).