10-[7'-[2-(7-phenothiazin-10-ylphenanthren-2-yl)ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenothiazine

C57H40N2S2 — CID 91608306

IUPAC10-[7'-[2-(7-phenothiazin-10-ylphenanthren-2-yl)ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenothiazine
SMILESC(=Cc1ccc2c(ccc3cc(N4c5ccccc5Sc5ccccc54)ccc32)c1)c1ccc2c(c1)C1(CCCC1)c1cc(N3c4ccccc4Sc4ccccc43)ccc1-2
InChIInChI=1S/C57H40N2S2/c1-5-15-53-49(11-1)58(50-12-2-6-16-54(50)60-53)41-25-29-44-40(35-41)24-23-39-33-37(21-27-43(39)44)19-20-38-22-28-45-46-30-26-42(36-48(46)57(47(45)34-38)31-9-10-32-57)59-51-13-3-7-17-55(51)61-56-18-8-4-14-52(56)59/h1-8,11-30,33-36H,9-10,31-32H2
InChIKeyWYHUAFQBQXJIEH-UHFFFAOYSA-N
MW817.10 g/mol
LogP16.87
Rot. Bonds4

About 10-[7'-[2-(7-phenothiazin-10-ylphenanthren-2-yl)ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenothiazine

10-[7'-[2-(7-phenothiazin-10-ylphenanthren-2-yl)ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenothiazine (PubChem CID 91608306) has the molecular formula C57H40N2S2 and a molecular weight of 817.10 g/mol. Its IUPAC name is 10-[7'-[2-(7-phenothiazin-10-ylphenanthren-2-yl)ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenothiazine.

Molecular Properties

Compound Name10-[7'-[2-(7-phenothiazin-10-ylphenanthren-2-yl)ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenothiazine
PubChem CID91608306
Molecular FormulaC57H40N2S2
Molecular Weight817.10 g/mol
Exact Mass816.26
IUPAC Name10-[7'-[2-(7-phenothiazin-10-ylphenanthren-2-yl)ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenothiazine
SMILESC(=Cc1ccc2c(ccc3cc(N4c5ccccc5Sc5ccccc54)ccc32)c1)c1ccc2c(c1)C1(CCCC1)c1cc(N3c4ccccc4Sc4ccccc43)ccc1-2
InChIInChI=1S/C57H40N2S2/c1-5-15-53-49(11-1)58(50-12-2-6-16-54(50)60-53)41-25-29-44-40(35-41)24-23-39-33-37(21-27-43(39)44)19-20-38-22-28-45-46-30-26-42(36-48(46)57(47(45)34-38)31-9-10-32-57)59-51-13-3-7-17-55(51)61-56-18-8-4-14-52(56)59/h1-8,11-30,33-36H,9-10,31-32H2
InChIKeyWYHUAFQBQXJIEH-UHFFFAOYSA-N
XLogP16.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.10
LogP ≤ 516.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 10-[7'-[2-(7-phenothiazin-10-ylphenanthren-2-yl)ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenothiazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-[5-[(E)-2-[7'-(1,2-dihydrophenothiazin-10-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]naphthalen-1-yl]phenothiazine
CID 89071516
10-[7-[(E)-2-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]phenothiazine
CID 89071852
5-phenyl-10-[7'-[(E)-2-[5-(10-phenylphenazin-5-yl)-2-pyridinyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenazine
CID 143984195
11-[7'-[2-(7-benzo[b][1]benzazepin-11-yl-9,9-dimethylfluoren-2-yl)ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]benzo[b][1]benzazepine
CID 91041022
10-[7'-[(E)-2-[4-[6-(9,9-dimethylacridin-10-yl)naphthalen-2-yl]naphthalen-1-yl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-9,9-dimethylacridine
CID 89071491
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
ethane;5-methyl-10-[7'-[(E)-2-[4-[4-(10-phenylphenazin-5-yl)naphthalen-1-yl]phenyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenazine
CID 143984217
10-[8-[(E)-2-(9,9-dimethyl-7-phenothiazin-10-ylfluoren-2-yl)ethenyl]-5-phenylbenzo[b]phosphindol-2-yl]phenothiazine
CID 89071442
10-(6-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine
CID 141449755
2',7'-bis[(E)-2-phenylethenyl]spiro[cyclohexane-1,9'-fluorene]
CID 59217211
10-[7-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]phenanthren-2-yl]-9H-acridine
CID 90962170
1-[7'-[(E)-2-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline
CID 89071564

Frequently Asked Questions

What is the IUPAC name of 10-[7'-[2-(7-phenothiazin-10-ylphenanthren-2-yl)ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenothiazine?
The IUPAC name of 10-[7'-[2-(7-phenothiazin-10-ylphenanthren-2-yl)ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenothiazine (CID 91608306) is 10-[7'-[2-(7-phenothiazin-10-ylphenanthren-2-yl)ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenothiazine.
What is the SMILES notation for 10-[7'-[2-(7-phenothiazin-10-ylphenanthren-2-yl)ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenothiazine?
The canonical SMILES for 10-[7'-[2-(7-phenothiazin-10-ylphenanthren-2-yl)ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenothiazine is C(=Cc1ccc2c(ccc3cc(N4c5ccccc5Sc5ccccc54)ccc32)c1)c1ccc2c(c1)C1(CCCC1)c1cc(N3c4ccccc4Sc4ccccc43)ccc1-2.
What is the InChIKey of 10-[7'-[2-(7-phenothiazin-10-ylphenanthren-2-yl)ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenothiazine?
The InChIKey is WYHUAFQBQXJIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N2S2/c1-5-15-53-49(11-1)58(50-12-2-6-16-54(50)60-53)41-25-29-44-40(35-41)24-23-39-33-37(21-27-43(39)44)19-20-38-22-28-45-46-30-26-42(36-48(46)57(47(45)34-38)31-9-10-32-57)59-51-13-3-7-17-55(51)61-56-18-8-4-14-52(56)59/h1-8,11-30,33-36H,9-10,31-32H2.
What are the key properties of 10-[7'-[2-(7-phenothiazin-10-ylphenanthren-2-yl)ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenothiazine?
10-[7'-[2-(7-phenothiazin-10-ylphenanthren-2-yl)ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenothiazine has a molecular weight of 817.10 g/mol, XLogP of 16.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[7'-[2-(7-phenothiazin-10-ylphenanthren-2-yl)ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenothiazine is sourced from PubChem (CID 91608306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).