10-[9-(4-naphthalen-1-ylphenyl)-6-phenothiazin-10-yl-10-phenylanthracen-2-yl]phenothiazine

C60H38N2S2 — CID 59220211

IUPAC10-[9-(4-naphthalen-1-ylphenyl)-6-phenothiazin-10-yl-10-phenylanthracen-2-yl]phenothiazine
SMILESc1ccc(-c2c3ccc(N4c5ccccc5Sc5ccccc54)cc3c(-c3ccc(-c4cccc5ccccc45)cc3)c3ccc(N4c5ccccc5Sc5ccccc54)cc23)cc1
InChIInChI=1S/C60H38N2S2/c1-2-16-41(17-3-1)59-47-35-33-44(62-53-23-8-12-27-57(53)64-58-28-13-9-24-54(58)62)38-50(47)60(42-31-29-40(30-32-42)46-20-14-18-39-15-4-5-19-45(39)46)48-36-34-43(37-49(48)59)61-51-21-6-10-25-55(51)63-56-26-11-7-22-52(56)61/h1-38H
InChIKeyKALIPFDGFWDPSQ-UHFFFAOYSA-N
MW851.11 g/mol
LogP18.02
Rot. Bonds5

About 10-[9-(4-naphthalen-1-ylphenyl)-6-phenothiazin-10-yl-10-phenylanthracen-2-yl]phenothiazine

10-[9-(4-naphthalen-1-ylphenyl)-6-phenothiazin-10-yl-10-phenylanthracen-2-yl]phenothiazine (PubChem CID 59220211) has the molecular formula C60H38N2S2 and a molecular weight of 851.11 g/mol. Its IUPAC name is 10-[9-(4-naphthalen-1-ylphenyl)-6-phenothiazin-10-yl-10-phenylanthracen-2-yl]phenothiazine.

Molecular Properties

Compound Name10-[9-(4-naphthalen-1-ylphenyl)-6-phenothiazin-10-yl-10-phenylanthracen-2-yl]phenothiazine
PubChem CID59220211
Molecular FormulaC60H38N2S2
Molecular Weight851.11 g/mol
Exact Mass850.25
IUPAC Name10-[9-(4-naphthalen-1-ylphenyl)-6-phenothiazin-10-yl-10-phenylanthracen-2-yl]phenothiazine
SMILESc1ccc(-c2c3ccc(N4c5ccccc5Sc5ccccc54)cc3c(-c3ccc(-c4cccc5ccccc45)cc3)c3ccc(N4c5ccccc5Sc5ccccc54)cc23)cc1
InChIInChI=1S/C60H38N2S2/c1-2-16-41(17-3-1)59-47-35-33-44(62-53-23-8-12-27-57(53)64-58-28-13-9-24-54(58)62)38-50(47)60(42-31-29-40(30-32-42)46-20-14-18-39-15-4-5-19-45(39)46)48-36-34-43(37-49(48)59)61-51-21-6-10-25-55(51)63-56-26-11-7-22-52(56)61/h1-38H
InChIKeyKALIPFDGFWDPSQ-UHFFFAOYSA-N
XLogP18.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.11
LogP ≤ 518.02
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-(4-naphthalen-1-ylphenyl)-6-phenothiazin-10-yl-10-phenylanthracen-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-phenothiazin-10-ylanthracen-2-yl]phenothiazine
CID 59220925
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-(9H-acridin-10-yl)-9-naphthalen-1-yl-10-phenylanthracen-2-yl]-9H-acridine
CID 59219788
9-[6-carbazol-9-yl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracen-2-yl]carbazole
CID 59219883
5-methyl-10-[6-(10-methylphenazin-5-yl)-9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]phenazine
CID 59219916
5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 59220514
5-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-naphthalen-1-ylphenyl)anthracen-2-yl]-10-methylphenazine
CID 59220680
2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene
CID 162243145
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
9-naphthalen-1-yl-2,6-diphenyl-10-(5-phenylnaphthalen-1-yl)anthracene;10-naphthalen-1-yl-2-phenyl-9-(5-phenylnaphthalen-1-yl)anthracene;2,7,10-triphenyl-9-(5-phenylnaphthalen-1-yl)anthracene
CID 163914119
10-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)-9-(4-phenylphenyl)anthracene
CID 58323245

Frequently Asked Questions

What is the IUPAC name of 10-[9-(4-naphthalen-1-ylphenyl)-6-phenothiazin-10-yl-10-phenylanthracen-2-yl]phenothiazine?
The IUPAC name of 10-[9-(4-naphthalen-1-ylphenyl)-6-phenothiazin-10-yl-10-phenylanthracen-2-yl]phenothiazine (CID 59220211) is 10-[9-(4-naphthalen-1-ylphenyl)-6-phenothiazin-10-yl-10-phenylanthracen-2-yl]phenothiazine.
What is the SMILES notation for 10-[9-(4-naphthalen-1-ylphenyl)-6-phenothiazin-10-yl-10-phenylanthracen-2-yl]phenothiazine?
The canonical SMILES for 10-[9-(4-naphthalen-1-ylphenyl)-6-phenothiazin-10-yl-10-phenylanthracen-2-yl]phenothiazine is c1ccc(-c2c3ccc(N4c5ccccc5Sc5ccccc54)cc3c(-c3ccc(-c4cccc5ccccc45)cc3)c3ccc(N4c5ccccc5Sc5ccccc54)cc23)cc1.
What is the InChIKey of 10-[9-(4-naphthalen-1-ylphenyl)-6-phenothiazin-10-yl-10-phenylanthracen-2-yl]phenothiazine?
The InChIKey is KALIPFDGFWDPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N2S2/c1-2-16-41(17-3-1)59-47-35-33-44(62-53-23-8-12-27-57(53)64-58-28-13-9-24-54(58)62)38-50(47)60(42-31-29-40(30-32-42)46-20-14-18-39-15-4-5-19-45(39)46)48-36-34-43(37-49(48)59)61-51-21-6-10-25-55(51)63-56-26-11-7-22-52(56)61/h1-38H.
What are the key properties of 10-[9-(4-naphthalen-1-ylphenyl)-6-phenothiazin-10-yl-10-phenylanthracen-2-yl]phenothiazine?
10-[9-(4-naphthalen-1-ylphenyl)-6-phenothiazin-10-yl-10-phenylanthracen-2-yl]phenothiazine has a molecular weight of 851.11 g/mol, XLogP of 18.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[9-(4-naphthalen-1-ylphenyl)-6-phenothiazin-10-yl-10-phenylanthracen-2-yl]phenothiazine is sourced from PubChem (CID 59220211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).