10-(2-methylphenyl)-2'-naphthalen-1-ylspiro[3,4-dihydroacridine-9,9'-thioxanthene]

C42H31NS — CID 146519504

IUPAC10-(2-methylphenyl)-2'-naphthalen-1-ylspiro[3,4-dihydroacridine-9,9'-thioxanthene]
SMILESCc1ccccc1N1C2=C(C=CCC2)C2(c3ccccc3Sc3ccc(-c4cccc5ccccc45)cc32)c2ccccc21
InChIInChI=1S/C42H31NS/c1-28-13-2-8-21-37(28)43-38-22-9-5-18-33(38)42(34-19-6-10-23-39(34)43)35-20-7-11-24-40(35)44-41-26-25-30(27-36(41)42)32-17-12-15-29-14-3-4-16-31(29)32/h2-9,11-22,24-27H,10,23H2,1H3
InChIKeyCIAJCPJDOXVRKL-UHFFFAOYSA-N
MW581.78 g/mol
LogP11.37
Rot. Bonds2

About 10-(2-methylphenyl)-2'-naphthalen-1-ylspiro[3,4-dihydroacridine-9,9'-thioxanthene]

10-(2-methylphenyl)-2'-naphthalen-1-ylspiro[3,4-dihydroacridine-9,9'-thioxanthene] (PubChem CID 146519504) has the molecular formula C42H31NS and a molecular weight of 581.78 g/mol. Its IUPAC name is 10-(2-methylphenyl)-2'-naphthalen-1-ylspiro[3,4-dihydroacridine-9,9'-thioxanthene].

Molecular Properties

Compound Name10-(2-methylphenyl)-2'-naphthalen-1-ylspiro[3,4-dihydroacridine-9,9'-thioxanthene]
PubChem CID146519504
Molecular FormulaC42H31NS
Molecular Weight581.78 g/mol
Exact Mass581.22
IUPAC Name10-(2-methylphenyl)-2'-naphthalen-1-ylspiro[3,4-dihydroacridine-9,9'-thioxanthene]
SMILESCc1ccccc1N1C2=C(C=CCC2)C2(c3ccccc3Sc3ccc(-c4cccc5ccccc45)cc32)c2ccccc21
InChIInChI=1S/C42H31NS/c1-28-13-2-8-21-37(28)43-38-22-9-5-18-33(38)42(34-19-6-10-23-39(34)43)35-20-7-11-24-40(35)44-41-26-25-30(27-36(41)42)32-17-12-15-29-14-3-4-16-31(29)32/h2-9,11-22,24-27H,10,23H2,1H3
InChIKeyCIAJCPJDOXVRKL-UHFFFAOYSA-N
XLogP11.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.78
LogP ≤ 511.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-10-naphthalen-1-yl-2-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylacridine
CID 90087290
8,8,14,14-tetramethyl-11-naphthalen-1-yl-N,N-dinaphthalen-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16-octaen-5-amine
CID 70885876
2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-2'-yl-1,3,5-triazine
CID 166738068
3-(2-cyclohexa-1,5-dien-1-ylspiro[6H-cyclohepta[b]thiochromene-11,9'-thioxanthene]-1'-yl)-5-methyl-9-phenylcarbazole
CID 134527451
2,6-diphenyl-4-[3-(2-phenyl-4-spiro[1,2-dihydrofluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]pyridine
CID 174328025
2-naphthalen-1-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)-1,3,5-triazine
CID 146327024
2'-(9,9-dimethylfluoren-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene]
CID 135139987
2-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]-10-methylphenothiazine
CID 59196364
9-cyclohexa-1,5-dien-1-yl-1-(6-phenyl-9,9'-spirobi[thioxanthene]-2-yl)carbazole
CID 118861029
13,13-dimethyl-5,10-dinaphthalen-1-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 70893315
8,8,14,14-tetramethyl-5-(2-naphthalen-1-ylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 70892961
CID 10673795
CID 10673795

Frequently Asked Questions

What is the IUPAC name of 10-(2-methylphenyl)-2'-naphthalen-1-ylspiro[3,4-dihydroacridine-9,9'-thioxanthene]?
The IUPAC name of 10-(2-methylphenyl)-2'-naphthalen-1-ylspiro[3,4-dihydroacridine-9,9'-thioxanthene] (CID 146519504) is 10-(2-methylphenyl)-2'-naphthalen-1-ylspiro[3,4-dihydroacridine-9,9'-thioxanthene].
What is the SMILES notation for 10-(2-methylphenyl)-2'-naphthalen-1-ylspiro[3,4-dihydroacridine-9,9'-thioxanthene]?
The canonical SMILES for 10-(2-methylphenyl)-2'-naphthalen-1-ylspiro[3,4-dihydroacridine-9,9'-thioxanthene] is Cc1ccccc1N1C2=C(C=CCC2)C2(c3ccccc3Sc3ccc(-c4cccc5ccccc45)cc32)c2ccccc21.
What is the InChIKey of 10-(2-methylphenyl)-2'-naphthalen-1-ylspiro[3,4-dihydroacridine-9,9'-thioxanthene]?
The InChIKey is CIAJCPJDOXVRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31NS/c1-28-13-2-8-21-37(28)43-38-22-9-5-18-33(38)42(34-19-6-10-23-39(34)43)35-20-7-11-24-40(35)44-41-26-25-30(27-36(41)42)32-17-12-15-29-14-3-4-16-31(29)32/h2-9,11-22,24-27H,10,23H2,1H3.
What are the key properties of 10-(2-methylphenyl)-2'-naphthalen-1-ylspiro[3,4-dihydroacridine-9,9'-thioxanthene]?
10-(2-methylphenyl)-2'-naphthalen-1-ylspiro[3,4-dihydroacridine-9,9'-thioxanthene] has a molecular weight of 581.78 g/mol, XLogP of 11.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-methylphenyl)-2'-naphthalen-1-ylspiro[3,4-dihydroacridine-9,9'-thioxanthene] is sourced from PubChem (CID 146519504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).