10-methyl-2-[(E)-2-[2'-[(E)-2-(10-methylphenothiazin-2-yl)ethenyl]spiro[fluorene-9,9'-indeno[2,1-c]siline]-7'-yl]ethenyl]phenothiazine

C54H38N2S2Si — CID 59236551

IUPAC10-methyl-2-[(E)-2-[2'-[(E)-2-(10-methylphenothiazin-2-yl)ethenyl]spiro[fluorene-9,9'-indeno[2,1-c]siline]-7'-yl]ethenyl]phenothiazine
SMILESCN1c2ccccc2Sc2ccc(/C=C/c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c[si](/C=C/c5ccc6c(c5)N(C)c5ccccc5S6)ccc3-4)cc21
InChIInChI=1S/C54H38N2S2Si/c1-55-46-15-7-9-17-50(46)57-52-25-22-36(32-48(52)55)20-19-35-21-24-40-41-28-30-59(29-27-37-23-26-53-49(33-37)56(2)47-16-8-10-18-51(47)58-53)34-45(41)54(44(40)31-35)42-13-5-3-11-38(42)39-12-4-6-14-43(39)54/h3-34H,1-2H3/b20-19+,29-27+
InChIKeyWYVJOWQLJKFVRJ-BHGNLJLMSA-N
MW807.13 g/mol
LogP14.32
Rot. Bonds4

About 10-methyl-2-[(E)-2-[2'-[(E)-2-(10-methylphenothiazin-2-yl)ethenyl]spiro[fluorene-9,9'-indeno[2,1-c]siline]-7'-yl]ethenyl]phenothiazine

10-methyl-2-[(E)-2-[2'-[(E)-2-(10-methylphenothiazin-2-yl)ethenyl]spiro[fluorene-9,9'-indeno[2,1-c]siline]-7'-yl]ethenyl]phenothiazine (PubChem CID 59236551) has the molecular formula C54H38N2S2Si and a molecular weight of 807.13 g/mol. Its IUPAC name is 10-methyl-2-[(E)-2-[2'-[(E)-2-(10-methylphenothiazin-2-yl)ethenyl]spiro[fluorene-9,9'-indeno[2,1-c]siline]-7'-yl]ethenyl]phenothiazine.

Molecular Properties

Compound Name10-methyl-2-[(E)-2-[2'-[(E)-2-(10-methylphenothiazin-2-yl)ethenyl]spiro[fluorene-9,9'-indeno[2,1-c]siline]-7'-yl]ethenyl]phenothiazine
PubChem CID59236551
Molecular FormulaC54H38N2S2Si
Molecular Weight807.13 g/mol
Exact Mass806.22
IUPAC Name10-methyl-2-[(E)-2-[2'-[(E)-2-(10-methylphenothiazin-2-yl)ethenyl]spiro[fluorene-9,9'-indeno[2,1-c]siline]-7'-yl]ethenyl]phenothiazine
SMILESCN1c2ccccc2Sc2ccc(/C=C/c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c[si](/C=C/c5ccc6c(c5)N(C)c5ccccc5S6)ccc3-4)cc21
InChIInChI=1S/C54H38N2S2Si/c1-55-46-15-7-9-17-50(46)57-52-25-22-36(32-48(52)55)20-19-35-21-24-40-41-28-30-59(29-27-37-23-26-53-49(33-37)56(2)47-16-8-10-18-51(47)58-53)34-45(41)54(44(40)31-35)42-13-5-3-11-38(42)39-12-4-6-14-43(39)54/h3-34H,1-2H3/b20-19+,29-27+
InChIKeyWYVJOWQLJKFVRJ-BHGNLJLMSA-N
XLogP14.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.13
LogP ≤ 514.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 10-methyl-2-[(E)-2-[2'-[(E)-2-(10-methylphenothiazin-2-yl)ethenyl]spiro[fluorene-9,9'-indeno[2,1-c]siline]-7'-yl]ethenyl]phenothiazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-methyl-2-[(E)-2-[2'-[(E)-2-(10-methylphenothiazin-2-yl)ethenyl]spiro[fluorene-9,9'-indeno[2,1-c]siline]-7'-yl]ethenyl]phenothiazine?
The IUPAC name of 10-methyl-2-[(E)-2-[2'-[(E)-2-(10-methylphenothiazin-2-yl)ethenyl]spiro[fluorene-9,9'-indeno[2,1-c]siline]-7'-yl]ethenyl]phenothiazine (CID 59236551) is 10-methyl-2-[(E)-2-[2'-[(E)-2-(10-methylphenothiazin-2-yl)ethenyl]spiro[fluorene-9,9'-indeno[2,1-c]siline]-7'-yl]ethenyl]phenothiazine.
What is the SMILES notation for 10-methyl-2-[(E)-2-[2'-[(E)-2-(10-methylphenothiazin-2-yl)ethenyl]spiro[fluorene-9,9'-indeno[2,1-c]siline]-7'-yl]ethenyl]phenothiazine?
The canonical SMILES for 10-methyl-2-[(E)-2-[2'-[(E)-2-(10-methylphenothiazin-2-yl)ethenyl]spiro[fluorene-9,9'-indeno[2,1-c]siline]-7'-yl]ethenyl]phenothiazine is CN1c2ccccc2Sc2ccc(/C=C/c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c[si](/C=C/c5ccc6c(c5)N(C)c5ccccc5S6)ccc3-4)cc21.
What is the InChIKey of 10-methyl-2-[(E)-2-[2'-[(E)-2-(10-methylphenothiazin-2-yl)ethenyl]spiro[fluorene-9,9'-indeno[2,1-c]siline]-7'-yl]ethenyl]phenothiazine?
The InChIKey is WYVJOWQLJKFVRJ-BHGNLJLMSA-N. The full InChI is InChI=1S/C54H38N2S2Si/c1-55-46-15-7-9-17-50(46)57-52-25-22-36(32-48(52)55)20-19-35-21-24-40-41-28-30-59(29-27-37-23-26-53-49(33-37)56(2)47-16-8-10-18-51(47)58-53)34-45(41)54(44(40)31-35)42-13-5-3-11-38(42)39-12-4-6-14-43(39)54/h3-34H,1-2H3/b20-19+,29-27+.
What are the key properties of 10-methyl-2-[(E)-2-[2'-[(E)-2-(10-methylphenothiazin-2-yl)ethenyl]spiro[fluorene-9,9'-indeno[2,1-c]siline]-7'-yl]ethenyl]phenothiazine?
10-methyl-2-[(E)-2-[2'-[(E)-2-(10-methylphenothiazin-2-yl)ethenyl]spiro[fluorene-9,9'-indeno[2,1-c]siline]-7'-yl]ethenyl]phenothiazine has a molecular weight of 807.13 g/mol, XLogP of 14.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-2-[(E)-2-[2'-[(E)-2-(10-methylphenothiazin-2-yl)ethenyl]spiro[fluorene-9,9'-indeno[2,1-c]siline]-7'-yl]ethenyl]phenothiazine is sourced from PubChem (CID 59236551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).