2-(2-methyl-10-naphthalen-2-ylanthracen-9-yl)-9H-thioxanthene

C38H26S — CID 89139320

IUPAC2-(2-methyl-10-naphthalen-2-ylanthracen-9-yl)-9H-thioxanthene
SMILESCc1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4c(c3)Cc3ccccc3S4)c2c1
InChIInChI=1S/C38H26S/c1-24-14-18-33-34(20-24)38(29-17-19-36-30(23-29)22-27-10-4-7-13-35(27)39-36)32-12-6-5-11-31(32)37(33)28-16-15-25-8-2-3-9-26(25)21-28/h2-21,23H,22H2,1H3
InChIKeyCKLYJSGDOFIXJX-UHFFFAOYSA-N
MW514.69 g/mol
LogP10.84
Rot. Bonds2

About 2-(2-methyl-10-naphthalen-2-ylanthracen-9-yl)-9H-thioxanthene

2-(2-methyl-10-naphthalen-2-ylanthracen-9-yl)-9H-thioxanthene (PubChem CID 89139320) has the molecular formula C38H26S and a molecular weight of 514.69 g/mol. Its IUPAC name is 2-(2-methyl-10-naphthalen-2-ylanthracen-9-yl)-9H-thioxanthene.

Molecular Properties

Compound Name2-(2-methyl-10-naphthalen-2-ylanthracen-9-yl)-9H-thioxanthene
PubChem CID89139320
Molecular FormulaC38H26S
Molecular Weight514.69 g/mol
Exact Mass514.18
IUPAC Name2-(2-methyl-10-naphthalen-2-ylanthracen-9-yl)-9H-thioxanthene
SMILESCc1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4c(c3)Cc3ccccc3S4)c2c1
InChIInChI=1S/C38H26S/c1-24-14-18-33-34(20-24)38(29-17-19-36-30(23-29)22-27-10-4-7-13-35(27)39-36)32-12-6-5-11-31(32)37(33)28-16-15-25-8-2-3-9-26(25)21-28/h2-21,23H,22H2,1H3
InChIKeyCKLYJSGDOFIXJX-UHFFFAOYSA-N
XLogP10.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.69
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene;2-methyl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene
CID 91522286
2-(2-methyl-10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene
CID 59195540
9,10-bis(7-methylnaphthalen-2-yl)anthracene
CID 140856010
2-(6-methyl-9,10-dinaphthalen-2-ylanthracen-2-yl)-6-phenylpyridine
CID 59722048
2-methyl-9,10-dinaphthalen-2-yl-6-(trifluoromethyl)anthracene
CID 89225792
2-methyl-10-naphthalen-2-yl-9-prop-1-en-2-ylanthracene
CID 143445074
9-(3,5-diphenylphenyl)-2-methyl-10-naphthalen-2-ylanthracene;9-(3,4-diphenylphenyl)-10-naphthalen-2-ylanthracene;2-methyl-10-naphthalen-2-yl-9-(2-phenylphenyl)anthracene;2-methyl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene;9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 161230883
9-(9H-fluoren-3-yl)-10-naphthalen-2-ylanthracene
CID 143848174
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
1,2,3-tris(4-methylphenyl)-9H-thioxanthene
CID 159767836
3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-10-methyl-9H-acridine;2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-10-methylphenothiazine;3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9,9,10-trimethylacridine
CID 159013709
10-methyl-3-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
CID 134487603

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-10-naphthalen-2-ylanthracen-9-yl)-9H-thioxanthene?
The IUPAC name of 2-(2-methyl-10-naphthalen-2-ylanthracen-9-yl)-9H-thioxanthene (CID 89139320) is 2-(2-methyl-10-naphthalen-2-ylanthracen-9-yl)-9H-thioxanthene.
What is the SMILES notation for 2-(2-methyl-10-naphthalen-2-ylanthracen-9-yl)-9H-thioxanthene?
The canonical SMILES for 2-(2-methyl-10-naphthalen-2-ylanthracen-9-yl)-9H-thioxanthene is Cc1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4c(c3)Cc3ccccc3S4)c2c1.
What is the InChIKey of 2-(2-methyl-10-naphthalen-2-ylanthracen-9-yl)-9H-thioxanthene?
The InChIKey is CKLYJSGDOFIXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26S/c1-24-14-18-33-34(20-24)38(29-17-19-36-30(23-29)22-27-10-4-7-13-35(27)39-36)32-12-6-5-11-31(32)37(33)28-16-15-25-8-2-3-9-26(25)21-28/h2-21,23H,22H2,1H3.
What are the key properties of 2-(2-methyl-10-naphthalen-2-ylanthracen-9-yl)-9H-thioxanthene?
2-(2-methyl-10-naphthalen-2-ylanthracen-9-yl)-9H-thioxanthene has a molecular weight of 514.69 g/mol, XLogP of 10.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-10-naphthalen-2-ylanthracen-9-yl)-9H-thioxanthene is sourced from PubChem (CID 89139320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).