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

C55H36N2S2 — CID 59220855

IUPAC10-[9-(4-methylphenyl)-10-naphthalen-1-yl-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine
SMILESCc1ccc(-c2c3cc(N4c5ccccc5Sc5ccccc54)ccc3c(-c3cccc4ccccc34)c3cc(N4c5ccccc5Sc5ccccc54)ccc23)cc1
InChIInChI=1S/C55H36N2S2/c1-35-25-27-37(28-26-35)54-42-31-29-39(57-48-19-6-10-23-52(48)59-53-24-11-7-20-49(53)57)34-45(42)55(41-16-12-14-36-13-2-3-15-40(36)41)43-32-30-38(33-44(43)54)56-46-17-4-8-21-50(46)58-51-22-9-5-18-47(51)56/h2-34H,1H3
InChIKeyJSJHCWIPCIYLEU-UHFFFAOYSA-N
MW789.04 g/mol
LogP16.66
Rot. Bonds4

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

10-[9-(4-methylphenyl)-10-naphthalen-1-yl-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine (PubChem CID 59220855) has the molecular formula C55H36N2S2 and a molecular weight of 789.04 g/mol. Its IUPAC name is 10-[9-(4-methylphenyl)-10-naphthalen-1-yl-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine.

Molecular Properties

Compound Name10-[9-(4-methylphenyl)-10-naphthalen-1-yl-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine
PubChem CID59220855
Molecular FormulaC55H36N2S2
Molecular Weight789.04 g/mol
Exact Mass788.23
IUPAC Name10-[9-(4-methylphenyl)-10-naphthalen-1-yl-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine
SMILESCc1ccc(-c2c3cc(N4c5ccccc5Sc5ccccc54)ccc3c(-c3cccc4ccccc34)c3cc(N4c5ccccc5Sc5ccccc54)ccc23)cc1
InChIInChI=1S/C55H36N2S2/c1-35-25-27-37(28-26-35)54-42-31-29-39(57-48-19-6-10-23-52(48)59-53-24-11-7-20-49(53)57)34-45(42)55(41-16-12-14-36-13-2-3-15-40(36)41)43-32-30-38(33-44(43)54)56-46-17-4-8-21-50(46)58-51-22-9-5-18-47(51)56/h2-34H,1H3
InChIKeyJSJHCWIPCIYLEU-UHFFFAOYSA-N
XLogP16.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.04
LogP ≤ 516.66
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

10-[9-(3,4-dimethylphenyl)-10-naphthalen-1-yl-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine
CID 59220925
10-[9-(4-naphthalen-1-ylphenyl)-6-phenothiazin-10-yl-10-phenylanthracen-2-yl]phenothiazine
CID 59220211
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
10-[9-(3,4-dimethylphenyl)-10-naphthalen-1-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59220321
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
10-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]-10-naphthalen-2-yl-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine
CID 59220851
2-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene
CID 59766405
10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,9-dimethylacridine
CID 59219699
2,6-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene
CID 59766352
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

Frequently Asked Questions

What is the IUPAC name of 10-[9-(4-methylphenyl)-10-naphthalen-1-yl-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine?
The IUPAC name of 10-[9-(4-methylphenyl)-10-naphthalen-1-yl-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine (CID 59220855) is 10-[9-(4-methylphenyl)-10-naphthalen-1-yl-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine.
What is the SMILES notation for 10-[9-(4-methylphenyl)-10-naphthalen-1-yl-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine?
The canonical SMILES for 10-[9-(4-methylphenyl)-10-naphthalen-1-yl-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine is Cc1ccc(-c2c3cc(N4c5ccccc5Sc5ccccc54)ccc3c(-c3cccc4ccccc34)c3cc(N4c5ccccc5Sc5ccccc54)ccc23)cc1.
What is the InChIKey of 10-[9-(4-methylphenyl)-10-naphthalen-1-yl-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine?
The InChIKey is JSJHCWIPCIYLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2S2/c1-35-25-27-37(28-26-35)54-42-31-29-39(57-48-19-6-10-23-52(48)59-53-24-11-7-20-49(53)57)34-45(42)55(41-16-12-14-36-13-2-3-15-40(36)41)43-32-30-38(33-44(43)54)56-46-17-4-8-21-50(46)58-51-22-9-5-18-47(51)56/h2-34H,1H3.
What are the key properties of 10-[9-(4-methylphenyl)-10-naphthalen-1-yl-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine?
10-[9-(4-methylphenyl)-10-naphthalen-1-yl-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine has a molecular weight of 789.04 g/mol, XLogP of 16.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[9-(4-methylphenyl)-10-naphthalen-1-yl-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine is sourced from PubChem (CID 59220855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).