3-methyl-24-thia-3-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene

C23H15NS — CID 166026535

IUPAC3-methyl-24-thia-3-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
SMILESCn1c2ccccc2c2ccc3c4ccc5ccccc5c4sc3c21
InChIInChI=1S/C23H15NS/c1-24-20-9-5-4-8-16(20)17-12-13-19-18-11-10-14-6-2-3-7-15(14)22(18)25-23(19)21(17)24/h2-13H,1H3
InChIKeySHTGXSUCCHDONC-UHFFFAOYSA-N
MW337.45 g/mol
LogP6.85
Rot. Bonds

About 3-methyl-24-thia-3-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene

3-methyl-24-thia-3-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene (PubChem CID 166026535) has the molecular formula C23H15NS and a molecular weight of 337.45 g/mol. Its IUPAC name is 3-methyl-24-thia-3-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene.

Molecular Properties

Compound Name3-methyl-24-thia-3-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
PubChem CID166026535
Molecular FormulaC23H15NS
Molecular Weight337.45 g/mol
Exact Mass337.09
IUPAC Name3-methyl-24-thia-3-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
SMILESCn1c2ccccc2c2ccc3c4ccc5ccccc5c4sc3c21
InChIInChI=1S/C23H15NS/c1-24-20-9-5-4-8-16(20)17-12-13-19-18-11-10-14-6-2-3-7-15(14)22(18)25-23(19)21(17)24/h2-13H,1H3
InChIKeySHTGXSUCCHDONC-UHFFFAOYSA-N
XLogP6.85
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.45
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methyl-24-thia-3-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene with MolForge

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Related Compounds

3-methyl-24-oxa-3-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 166026592
12-methyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12-methyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-methylbenzo[a]carbazole;5-methylbenzo[b]carbazole;9-methylcarbazole
CID 163692832
15-methyl-12,18-dithia-15-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 134472332
2-chloro-11-methylnaphtho[2,1-a]carbazole
CID 89117391
3-methyl-14-oxa-3-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 166026678
7-methyl-10-(11-methylbenzo[a]carbazol-3-yl)benzo[c]carbazole
CID 134240713
3-tert-butyl-12-methyl-[1]benzothiolo[2,3-a]carbazole
CID 169027748
12-ethyl-11-methylindolo[2,3-a]carbazole
CID 90350910
ethane;1,2,9-trimethylcarbazole
CID 160838686
1-ethyl-9-methylcarbazole
CID 21455608
15-ethyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
CID 135242724
1,2-diethyl-9-methylcarbazole
CID 174753838

Frequently Asked Questions

What is the IUPAC name of 3-methyl-24-thia-3-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene?
The IUPAC name of 3-methyl-24-thia-3-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene (CID 166026535) is 3-methyl-24-thia-3-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene.
What is the SMILES notation for 3-methyl-24-thia-3-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene?
The canonical SMILES for 3-methyl-24-thia-3-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene is Cn1c2ccccc2c2ccc3c4ccc5ccccc5c4sc3c21.
What is the InChIKey of 3-methyl-24-thia-3-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene?
The InChIKey is SHTGXSUCCHDONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NS/c1-24-20-9-5-4-8-16(20)17-12-13-19-18-11-10-14-6-2-3-7-15(14)22(18)25-23(19)21(17)24/h2-13H,1H3.
What are the key properties of 3-methyl-24-thia-3-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene?
3-methyl-24-thia-3-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene has a molecular weight of 337.45 g/mol, XLogP of 6.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-24-thia-3-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene is sourced from PubChem (CID 166026535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).