10-[9-(3,4-dimethylphenyl)-10-naphthalen-1-yl-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine

C56H38N2S2 — CID 59220925

IUPAC10-[9-(3,4-dimethylphenyl)-10-naphthalen-1-yl-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine
SMILESCc1ccc(-c2c3cc(N4c5ccccc5Sc5ccccc54)ccc3c(-c3cccc4ccccc34)c3cc(N4c5ccccc5Sc5ccccc54)ccc23)cc1C
InChIInChI=1S/C56H38N2S2/c1-35-26-27-38(32-36(35)2)55-43-30-28-40(58-49-20-7-11-24-53(49)60-54-25-12-8-21-50(54)58)34-46(43)56(42-17-13-15-37-14-3-4-16-41(37)42)44-31-29-39(33-45(44)55)57-47-18-5-9-22-51(47)59-52-23-10-6-19-48(52)57/h3-34H,1-2H3
InChIKeyHVUIOBLHXFGTEW-UHFFFAOYSA-N
MW803.07 g/mol
LogP16.97
Rot. Bonds4

About 10-[9-(3,4-dimethylphenyl)-10-naphthalen-1-yl-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine

10-[9-(3,4-dimethylphenyl)-10-naphthalen-1-yl-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine (PubChem CID 59220925) has the molecular formula C56H38N2S2 and a molecular weight of 803.07 g/mol. Its IUPAC name is 10-[9-(3,4-dimethylphenyl)-10-naphthalen-1-yl-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine.

Molecular Properties

Compound Name10-[9-(3,4-dimethylphenyl)-10-naphthalen-1-yl-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine
PubChem CID59220925
Molecular FormulaC56H38N2S2
Molecular Weight803.07 g/mol
Exact Mass802.25
IUPAC Name10-[9-(3,4-dimethylphenyl)-10-naphthalen-1-yl-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine
SMILESCc1ccc(-c2c3cc(N4c5ccccc5Sc5ccccc54)ccc3c(-c3cccc4ccccc34)c3cc(N4c5ccccc5Sc5ccccc54)ccc23)cc1C
InChIInChI=1S/C56H38N2S2/c1-35-26-27-38(32-36(35)2)55-43-30-28-40(58-49-20-7-11-24-53(49)60-54-25-12-8-21-50(54)58)34-46(43)56(42-17-13-15-37-14-3-4-16-41(37)42)44-31-29-39(33-45(44)55)57-47-18-5-9-22-51(47)59-52-23-10-6-19-48(52)57/h3-34H,1-2H3
InChIKeyHVUIOBLHXFGTEW-UHFFFAOYSA-N
XLogP16.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.07
LogP ≤ 516.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 10-[9-(3,4-dimethylphenyl)-10-naphthalen-1-yl-6-phenothiazin-10-ylanthracen-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-[9-(4-methylphenyl)-10-naphthalen-1-yl-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine
CID 59220855
10-[9-(3,4-dimethylphenyl)-10-naphthalen-1-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59220321
10-[9-(4-naphthalen-1-ylphenyl)-6-phenothiazin-10-yl-10-phenylanthracen-2-yl]phenothiazine
CID 59220211
10-(9-naphthalen-1-yl-10-naphthalen-2-yl-6-phenoxazin-10-ylanthracen-2-yl)phenoxazine
CID 59219996
5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-(2-naphthalen-2-ylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 59220888
11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 59220622
10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,9-dimethylacridine
CID 59219699
11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 59220351
10-[6-(9H-acridin-10-yl)-9-naphthalen-1-yl-10-phenylanthracen-2-yl]-9H-acridine
CID 59219788
5-methyl-10-[6-(10-methylphenazin-5-yl)-9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]phenazine
CID 59219916
10-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]-10-naphthalen-2-yl-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine
CID 59220851
1-[9-(3,4-dimethylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-2,5-diphenyl-2,3-dihydropyrrole
CID 89144288

Frequently Asked Questions

What is the IUPAC name of 10-[9-(3,4-dimethylphenyl)-10-naphthalen-1-yl-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine?
The IUPAC name of 10-[9-(3,4-dimethylphenyl)-10-naphthalen-1-yl-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine (CID 59220925) is 10-[9-(3,4-dimethylphenyl)-10-naphthalen-1-yl-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine.
What is the SMILES notation for 10-[9-(3,4-dimethylphenyl)-10-naphthalen-1-yl-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine?
The canonical SMILES for 10-[9-(3,4-dimethylphenyl)-10-naphthalen-1-yl-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine is Cc1ccc(-c2c3cc(N4c5ccccc5Sc5ccccc54)ccc3c(-c3cccc4ccccc34)c3cc(N4c5ccccc5Sc5ccccc54)ccc23)cc1C.
What is the InChIKey of 10-[9-(3,4-dimethylphenyl)-10-naphthalen-1-yl-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine?
The InChIKey is HVUIOBLHXFGTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2S2/c1-35-26-27-38(32-36(35)2)55-43-30-28-40(58-49-20-7-11-24-53(49)60-54-25-12-8-21-50(54)58)34-46(43)56(42-17-13-15-37-14-3-4-16-41(37)42)44-31-29-39(33-45(44)55)57-47-18-5-9-22-51(47)59-52-23-10-6-19-48(52)57/h3-34H,1-2H3.
What are the key properties of 10-[9-(3,4-dimethylphenyl)-10-naphthalen-1-yl-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine?
10-[9-(3,4-dimethylphenyl)-10-naphthalen-1-yl-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine has a molecular weight of 803.07 g/mol, XLogP of 16.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[9-(3,4-dimethylphenyl)-10-naphthalen-1-yl-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine is sourced from PubChem (CID 59220925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).