10-[7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-yl]phenothiazine

C56H43NS — CID 89074953

IUPAC10-[7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-yl]phenothiazine
SMILESCCC1(CC)c2cc(/C=C/c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)ccc2-c2ccc(N3c4ccccc4Sc4ccccc43)cc21
InChIInChI=1S/C56H43NS/c1-3-55(4-2)48-36-38(31-34-43(48)44-35-33-42(37-49(44)55)57-50-26-13-15-28-52(50)58-53-29-16-14-27-51(53)57)30-32-39-18-17-25-47-54(39)45-23-11-12-24-46(45)56(47,40-19-7-5-8-20-40)41-21-9-6-10-22-41/h5-37H,3-4H2,1-2H3/b32-30+
InChIKeyFSPQVGDZIQANMA-NHQGMKOOSA-N
MW762.03 g/mol
LogP15.24
Rot. Bonds7

About 10-[7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-yl]phenothiazine

10-[7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-yl]phenothiazine (PubChem CID 89074953) has the molecular formula C56H43NS and a molecular weight of 762.03 g/mol. Its IUPAC name is 10-[7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-yl]phenothiazine.

Molecular Properties

Compound Name10-[7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-yl]phenothiazine
PubChem CID89074953
Molecular FormulaC56H43NS
Molecular Weight762.03 g/mol
Exact Mass761.31
IUPAC Name10-[7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-yl]phenothiazine
SMILESCCC1(CC)c2cc(/C=C/c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)ccc2-c2ccc(N3c4ccccc4Sc4ccccc43)cc21
InChIInChI=1S/C56H43NS/c1-3-55(4-2)48-36-38(31-34-43(48)44-35-33-42(37-49(44)55)57-50-26-13-15-28-52(50)58-53-29-16-14-27-51(53)57)30-32-39-18-17-25-47-54(39)45-23-11-12-24-46(45)56(47,40-19-7-5-8-20-40)41-21-9-6-10-22-41/h5-37H,3-4H2,1-2H3/b32-30+
InChIKeyFSPQVGDZIQANMA-NHQGMKOOSA-N
XLogP15.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.03
LogP ≤ 515.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 89074925
7-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-N-(3,4-diphenylphenyl)-9,9-diethyl-N-phenylfluoren-2-amine
CID 91193814
N,N-bis(3,4-dimethylphenyl)-7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-amine
CID 89075120
7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methoxyphenyl)fluoren-2-amine
CID 89075111
10-(2'-phenothiazin-10-yl-9,9'-spirobi[fluorene]-4-yl)phenothiazine
CID 140915422
6-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-dimethyl-N,N,10-triphenylacridin-3-amine
CID 91214127
N-[7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-yl]-N-phenyl-1,3-benzoxazol-2-amine
CID 89066758
7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N-phenyl-N-(1,2,6,7-tetrahydroacenaphthylen-5-yl)fluoren-2-amine
CID 89066792
10-[4-(5,9,9-triphenylfluoren-2-yl)phenyl]phenothiazine
CID 155153839
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-[7-[(E)-2-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]phenothiazine
CID 89071852
5,6,8,8-tetraphenylindeno[2,1-c]phenothiazine
CID 118668309

Frequently Asked Questions

What is the IUPAC name of 10-[7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-yl]phenothiazine?
The IUPAC name of 10-[7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-yl]phenothiazine (CID 89074953) is 10-[7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-yl]phenothiazine.
What is the SMILES notation for 10-[7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-yl]phenothiazine?
The canonical SMILES for 10-[7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-yl]phenothiazine is CCC1(CC)c2cc(/C=C/c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)ccc2-c2ccc(N3c4ccccc4Sc4ccccc43)cc21.
What is the InChIKey of 10-[7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-yl]phenothiazine?
The InChIKey is FSPQVGDZIQANMA-NHQGMKOOSA-N. The full InChI is InChI=1S/C56H43NS/c1-3-55(4-2)48-36-38(31-34-43(48)44-35-33-42(37-49(44)55)57-50-26-13-15-28-52(50)58-53-29-16-14-27-51(53)57)30-32-39-18-17-25-47-54(39)45-23-11-12-24-46(45)56(47,40-19-7-5-8-20-40)41-21-9-6-10-22-41/h5-37H,3-4H2,1-2H3/b32-30+.
What are the key properties of 10-[7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-yl]phenothiazine?
10-[7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-yl]phenothiazine has a molecular weight of 762.03 g/mol, XLogP of 15.24, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-yl]phenothiazine is sourced from PubChem (CID 89074953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).