10-methyl-4-[3-[8-[3-(10-methylphenothiazin-4-yl)phenyl]-10-phenylanthracen-1-yl]phenyl]phenothiazine

C58H40N2S2 — CID 155333589

IUPAC10-methyl-4-[3-[8-[3-(10-methylphenothiazin-4-yl)phenyl]-10-phenylanthracen-1-yl]phenyl]phenothiazine
SMILESCN1c2ccccc2Sc2c(-c3cccc(-c4cccc5c(-c6ccccc6)c6cccc(-c7cccc(-c8cccc9c8Sc8ccccc8N9C)c7)c6cc45)c3)cccc21
InChIInChI=1S/C58H40N2S2/c1-59-50-28-6-8-32-54(50)61-57-44(24-14-30-52(57)59)40-20-10-18-38(34-40)42-22-12-26-46-48(42)36-49-43(23-13-27-47(49)56(46)37-16-4-3-5-17-37)39-19-11-21-41(35-39)45-25-15-31-53-58(45)62-55-33-9-7-29-51(55)60(53)2/h3-36H,1-2H3
InChIKeyHELMTBLRHNIFSX-UHFFFAOYSA-N
MW829.11 g/mol
LogP16.79
Rot. Bonds5

About 10-methyl-4-[3-[8-[3-(10-methylphenothiazin-4-yl)phenyl]-10-phenylanthracen-1-yl]phenyl]phenothiazine

10-methyl-4-[3-[8-[3-(10-methylphenothiazin-4-yl)phenyl]-10-phenylanthracen-1-yl]phenyl]phenothiazine (PubChem CID 155333589) has the molecular formula C58H40N2S2 and a molecular weight of 829.11 g/mol. Its IUPAC name is 10-methyl-4-[3-[8-[3-(10-methylphenothiazin-4-yl)phenyl]-10-phenylanthracen-1-yl]phenyl]phenothiazine.

Molecular Properties

Compound Name10-methyl-4-[3-[8-[3-(10-methylphenothiazin-4-yl)phenyl]-10-phenylanthracen-1-yl]phenyl]phenothiazine
PubChem CID155333589
Molecular FormulaC58H40N2S2
Molecular Weight829.11 g/mol
Exact Mass828.26
IUPAC Name10-methyl-4-[3-[8-[3-(10-methylphenothiazin-4-yl)phenyl]-10-phenylanthracen-1-yl]phenyl]phenothiazine
SMILESCN1c2ccccc2Sc2c(-c3cccc(-c4cccc5c(-c6ccccc6)c6cccc(-c7cccc(-c8cccc9c8Sc8ccccc8N9C)c7)c6cc45)c3)cccc21
InChIInChI=1S/C58H40N2S2/c1-59-50-28-6-8-32-54(50)61-57-44(24-14-30-52(57)59)40-20-10-18-38(34-40)42-22-12-26-46-48(42)36-49-43(23-13-27-47(49)56(46)37-16-4-3-5-17-37)39-19-11-21-41(35-39)45-25-15-31-53-58(45)62-55-33-9-7-29-51(55)60(53)2/h3-36H,1-2H3
InChIKeyHELMTBLRHNIFSX-UHFFFAOYSA-N
XLogP16.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.11
LogP ≤ 516.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9,9,10-trimethyl-1-[10-(10-phenylanthracen-9-yl)-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]acridine
CID 155333301
9-phenyl-10-[3-[2-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]anthracene
CID 58711316
2-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]-10-methylphenothiazine
CID 59196364
10-[9-(4-naphthalen-1-ylphenyl)-6-phenothiazin-10-yl-10-phenylanthracen-2-yl]phenothiazine
CID 59220211
6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-phenylanthracen-1-yl]-1,2-dimethylbenzimidazole
CID 155333921
9-phenyl-10-[5-(4-phenylphenyl)-8-[3-(2-phenylphenyl)phenyl]naphthalen-2-yl]anthracene
CID 144837402
10-methyl-4-[8-(10-methyl-9,9-diphenylacridin-4-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]-9,9-diphenylacridine
CID 155333302
5,10,10-trimethyl-4-[3-[10-phenyl-8-[4-(5,10,10-trimethylbenzo[b][1,4]benzazasilin-4-yl)naphthalen-2-yl]anthracen-1-yl]naphthalen-1-yl]benzo[b][1,4]benzazasiline
CID 161177185
9-phenyl-10-[5-phenyl-8-[3-(4-phenylphenyl)phenyl]naphthalen-2-yl]anthracene
CID 144837443
9-ethyl-3-[8-(9-ethylcarbazol-3-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]carbazole
CID 155333067
9-phenyl-3-[8-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)anthracen-1-yl]carbazole
CID 155333092
5-methyl-10-[6-(10-methylphenazin-5-yl)-9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]phenazine
CID 59219916

Frequently Asked Questions

What is the IUPAC name of 10-methyl-4-[3-[8-[3-(10-methylphenothiazin-4-yl)phenyl]-10-phenylanthracen-1-yl]phenyl]phenothiazine?
The IUPAC name of 10-methyl-4-[3-[8-[3-(10-methylphenothiazin-4-yl)phenyl]-10-phenylanthracen-1-yl]phenyl]phenothiazine (CID 155333589) is 10-methyl-4-[3-[8-[3-(10-methylphenothiazin-4-yl)phenyl]-10-phenylanthracen-1-yl]phenyl]phenothiazine.
What is the SMILES notation for 10-methyl-4-[3-[8-[3-(10-methylphenothiazin-4-yl)phenyl]-10-phenylanthracen-1-yl]phenyl]phenothiazine?
The canonical SMILES for 10-methyl-4-[3-[8-[3-(10-methylphenothiazin-4-yl)phenyl]-10-phenylanthracen-1-yl]phenyl]phenothiazine is CN1c2ccccc2Sc2c(-c3cccc(-c4cccc5c(-c6ccccc6)c6cccc(-c7cccc(-c8cccc9c8Sc8ccccc8N9C)c7)c6cc45)c3)cccc21.
What is the InChIKey of 10-methyl-4-[3-[8-[3-(10-methylphenothiazin-4-yl)phenyl]-10-phenylanthracen-1-yl]phenyl]phenothiazine?
The InChIKey is HELMTBLRHNIFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2S2/c1-59-50-28-6-8-32-54(50)61-57-44(24-14-30-52(57)59)40-20-10-18-38(34-40)42-22-12-26-46-48(42)36-49-43(23-13-27-47(49)56(46)37-16-4-3-5-17-37)39-19-11-21-41(35-39)45-25-15-31-53-58(45)62-55-33-9-7-29-51(55)60(53)2/h3-36H,1-2H3.
What are the key properties of 10-methyl-4-[3-[8-[3-(10-methylphenothiazin-4-yl)phenyl]-10-phenylanthracen-1-yl]phenyl]phenothiazine?
10-methyl-4-[3-[8-[3-(10-methylphenothiazin-4-yl)phenyl]-10-phenylanthracen-1-yl]phenyl]phenothiazine has a molecular weight of 829.11 g/mol, XLogP of 16.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-4-[3-[8-[3-(10-methylphenothiazin-4-yl)phenyl]-10-phenylanthracen-1-yl]phenyl]phenothiazine is sourced from PubChem (CID 155333589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).