5-methyl-16-naphthalen-2-yl-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene

C25H16N2S — CID 168816743

IUPAC5-methyl-16-naphthalen-2-yl-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene
SMILESCc1ccc2c(ccc3sc4ncnc(-c5ccc6ccccc6c5)c4c32)c1
InChIInChI=1S/C25H16N2S/c1-15-6-10-20-18(12-15)9-11-21-22(20)23-24(26-14-27-25(23)28-21)19-8-7-16-4-2-3-5-17(16)13-19/h2-14H,1H3
InChIKeyYJVMYJZPVOKACW-UHFFFAOYSA-N
MW376.48 g/mol
LogP7.13
Rot. Bonds1

About 5-methyl-16-naphthalen-2-yl-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene

5-methyl-16-naphthalen-2-yl-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene (PubChem CID 168816743) has the molecular formula C25H16N2S and a molecular weight of 376.48 g/mol. Its IUPAC name is 5-methyl-16-naphthalen-2-yl-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene.

Molecular Properties

Compound Name5-methyl-16-naphthalen-2-yl-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene
PubChem CID168816743
Molecular FormulaC25H16N2S
Molecular Weight376.48 g/mol
Exact Mass376.10
IUPAC Name5-methyl-16-naphthalen-2-yl-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene
SMILESCc1ccc2c(ccc3sc4ncnc(-c5ccc6ccccc6c5)c4c32)c1
InChIInChI=1S/C25H16N2S/c1-15-6-10-20-18(12-15)9-11-21-22(20)23-24(26-14-27-25(23)28-21)19-8-7-16-4-2-3-5-17(16)13-19/h2-14H,1H3
InChIKeyYJVMYJZPVOKACW-UHFFFAOYSA-N
XLogP7.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-methyl-16-naphthalen-2-yl-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-6-(7-methylnaphthalen-2-yl)naphthalene
CID 143742447
1,2,7-trimethylbenzo[e][1]benzothiole
CID 165070523
2,6-dimethylnaphthalene;2-methylnaphthalene
CID 158480305
12-[4-(2-deuteriopropan-2-yl)phenyl]-17-thia-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
CID 168816089
3-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzothiole
CID 122415548
4-naphthalen-2-ylquinazoline
CID 58881337
17-methyl-9-thiapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14(19),15,17,20-decaene
CID 89117299
14,15-bis(6-naphthalen-1-ylnaphthalen-1-yl)-11-thia-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
CID 164829390
11-[3-[3-(3-methylphenyl)phenyl]phenyl]naphtho[2,1-b][1]benzothiole
CID 142294051
10-methyl-3-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
CID 134487603
2-(2-methyl-10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene
CID 59195540
1-(4-tert-butylnaphthalen-2-yl)-7-methyl-[1]benzothiolo[3,2-c]pyridine
CID 171764358

Frequently Asked Questions

What is the IUPAC name of 5-methyl-16-naphthalen-2-yl-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene?
The IUPAC name of 5-methyl-16-naphthalen-2-yl-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene (CID 168816743) is 5-methyl-16-naphthalen-2-yl-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene.
What is the SMILES notation for 5-methyl-16-naphthalen-2-yl-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene?
The canonical SMILES for 5-methyl-16-naphthalen-2-yl-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene is Cc1ccc2c(ccc3sc4ncnc(-c5ccc6ccccc6c5)c4c32)c1.
What is the InChIKey of 5-methyl-16-naphthalen-2-yl-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene?
The InChIKey is YJVMYJZPVOKACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N2S/c1-15-6-10-20-18(12-15)9-11-21-22(20)23-24(26-14-27-25(23)28-21)19-8-7-16-4-2-3-5-17(16)13-19/h2-14H,1H3.
What are the key properties of 5-methyl-16-naphthalen-2-yl-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene?
5-methyl-16-naphthalen-2-yl-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene has a molecular weight of 376.48 g/mol, XLogP of 7.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-16-naphthalen-2-yl-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene is sourced from PubChem (CID 168816743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).