10-benzyl-9-(methylsulfanylmethylidene)acridine

C22H19NS — CID 142258120

IUPAC10-benzyl-9-(methylsulfanylmethylidene)acridine
SMILESCSC=C1c2ccccc2N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C22H19NS/c1-24-16-20-18-11-5-7-13-21(18)23(15-17-9-3-2-4-10-17)22-14-8-6-12-19(20)22/h2-14,16H,15H2,1H3
InChIKeyORBOQJOKDWDSEU-UHFFFAOYSA-N
MW329.47 g/mol
LogP6.09
Rot. Bonds3

About 10-benzyl-9-(methylsulfanylmethylidene)acridine

10-benzyl-9-(methylsulfanylmethylidene)acridine (PubChem CID 142258120) has the molecular formula C22H19NS and a molecular weight of 329.47 g/mol. Its IUPAC name is 10-benzyl-9-(methylsulfanylmethylidene)acridine.

Molecular Properties

Compound Name10-benzyl-9-(methylsulfanylmethylidene)acridine
PubChem CID142258120
Molecular FormulaC22H19NS
Molecular Weight329.47 g/mol
Exact Mass329.12
IUPAC Name10-benzyl-9-(methylsulfanylmethylidene)acridine
SMILESCSC=C1c2ccccc2N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C22H19NS/c1-24-16-20-18-11-5-7-13-21(18)23(15-17-9-3-2-4-10-17)22-14-8-6-12-19(20)22/h2-14,16H,15H2,1H3
InChIKeyORBOQJOKDWDSEU-UHFFFAOYSA-N
XLogP6.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.47
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(10-benzylacridin-9-ylidene)ethanethiol
CID 88935762
2-(1-benzyl-2-oxoindol-3-ylidene)acetamide
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2-[(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-methylquinazolin-4-one
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(3Z)-1-benzyl-3-[(E)-3-phenylprop-2-enylidene]indol-2-one
CID 122182254
2-[(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-ethylquinazolin-4-one
CID 2870093
1-benzyl-3-propan-2-ylideneindol-2-one
CID 86011493
3-[1-(10-benzylacridin-9-ylidene)ethylsulfanyl]propan-1-amine
CID 59215574
5,10-bis[[4-(chloromethyl)phenyl]methyl]phenazine
CID 18520859
10-benzylphenoselenazine
CID 21409567
(2E)-2-[1-[(3-methoxyphenyl)methyl]-2-oxoindol-3-ylidene]acetic acid
CID 58101368
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CID 15683216
(3Z)-1-benzyl-3-[(4-nitrophenyl)methylidene]indol-2-one
CID 122182267

Frequently Asked Questions

What is the IUPAC name of 10-benzyl-9-(methylsulfanylmethylidene)acridine?
The IUPAC name of 10-benzyl-9-(methylsulfanylmethylidene)acridine (CID 142258120) is 10-benzyl-9-(methylsulfanylmethylidene)acridine.
What is the SMILES notation for 10-benzyl-9-(methylsulfanylmethylidene)acridine?
The canonical SMILES for 10-benzyl-9-(methylsulfanylmethylidene)acridine is CSC=C1c2ccccc2N(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 10-benzyl-9-(methylsulfanylmethylidene)acridine?
The InChIKey is ORBOQJOKDWDSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NS/c1-24-16-20-18-11-5-7-13-21(18)23(15-17-9-3-2-4-10-17)22-14-8-6-12-19(20)22/h2-14,16H,15H2,1H3.
What are the key properties of 10-benzyl-9-(methylsulfanylmethylidene)acridine?
10-benzyl-9-(methylsulfanylmethylidene)acridine has a molecular weight of 329.47 g/mol, XLogP of 6.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzyl-9-(methylsulfanylmethylidene)acridine is sourced from PubChem (CID 142258120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).