5-naphthalen-1-yl-10-thia-2,3,4,7,12,15-hexazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),4,6,11,13,15-hexaen-8-one

C19H10N6OS — CID 134853336

IUPAC5-naphthalen-1-yl-10-thia-2,3,4,7,12,15-hexazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),4,6,11,13,15-hexaen-8-one
SMILESO=c1nc2c(-c3cccc4ccccc34)n[nH]n2c2c1sc1nccnc12
InChIInChI=1S/C19H10N6OS/c26-18-16-15(14-19(27-16)21-9-8-20-14)25-17(22-18)13(23-24-25)12-7-3-5-10-4-1-2-6-11(10)12/h1-9,24H
InChIKeySDPUHZHMFUEQHL-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.40
Rot. Bonds1

About 5-naphthalen-1-yl-10-thia-2,3,4,7,12,15-hexazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),4,6,11,13,15-hexaen-8-one

5-naphthalen-1-yl-10-thia-2,3,4,7,12,15-hexazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),4,6,11,13,15-hexaen-8-one (PubChem CID 134853336) has the molecular formula C19H10N6OS and a molecular weight of 370.40 g/mol. Its IUPAC name is 5-naphthalen-1-yl-10-thia-2,3,4,7,12,15-hexazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),4,6,11,13,15-hexaen-8-one.

Molecular Properties

Compound Name5-naphthalen-1-yl-10-thia-2,3,4,7,12,15-hexazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),4,6,11,13,15-hexaen-8-one
PubChem CID134853336
Molecular FormulaC19H10N6OS
Molecular Weight370.40 g/mol
Exact Mass370.06
IUPAC Name5-naphthalen-1-yl-10-thia-2,3,4,7,12,15-hexazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),4,6,11,13,15-hexaen-8-one
SMILESO=c1nc2c(-c3cccc4ccccc34)n[nH]n2c2c1sc1nccnc12
InChIInChI=1S/C19H10N6OS/c26-18-16-15(14-19(27-16)21-9-8-20-14)25-17(22-18)13(23-24-25)12-7-3-5-10-4-1-2-6-11(10)12/h1-9,24H
InChIKeySDPUHZHMFUEQHL-UHFFFAOYSA-N
XLogP3.40
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-naphthalen-1-yl-10-thia-2,3,4,7,12,15-hexazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),4,6,11,13,15-hexaen-8-one with MolForge

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Related Compounds

3-Amino-thieno[2,3-b]pyridine-2-carboxylic acid naphthalen-1-yl-methylene hydrazide
CID 54585208
7-amino-N-[(2S)-7-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 142528303
US20250154162, Example 1
CID 169103297
US20250154162, Example 26
CID 176733466
US20250154162, Example 35
CID 176733475
US20250154162, Example 52
CID 176733492
US20250154162, Example 54
CID 176733494
US20250154162, Example 61
CID 176733501
US20250154162, Example 63
CID 176733503
US20250154162, Example 64
CID 176733504
4-Ethyl-5-phenyl-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 101854852
5-(3,4-Dichlorophenyl)-10-thia-2,3,4,7,12,15-hexazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),4,6,11,13,15-hexaen-8-one
CID 134853092

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yl-10-thia-2,3,4,7,12,15-hexazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),4,6,11,13,15-hexaen-8-one?
The IUPAC name of 5-naphthalen-1-yl-10-thia-2,3,4,7,12,15-hexazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),4,6,11,13,15-hexaen-8-one (CID 134853336) is 5-naphthalen-1-yl-10-thia-2,3,4,7,12,15-hexazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),4,6,11,13,15-hexaen-8-one.
What is the SMILES notation for 5-naphthalen-1-yl-10-thia-2,3,4,7,12,15-hexazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),4,6,11,13,15-hexaen-8-one?
The canonical SMILES for 5-naphthalen-1-yl-10-thia-2,3,4,7,12,15-hexazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),4,6,11,13,15-hexaen-8-one is O=c1nc2c(-c3cccc4ccccc34)n[nH]n2c2c1sc1nccnc12.
What is the InChIKey of 5-naphthalen-1-yl-10-thia-2,3,4,7,12,15-hexazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),4,6,11,13,15-hexaen-8-one?
The InChIKey is SDPUHZHMFUEQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10N6OS/c26-18-16-15(14-19(27-16)21-9-8-20-14)25-17(22-18)13(23-24-25)12-7-3-5-10-4-1-2-6-11(10)12/h1-9,24H.
What are the key properties of 5-naphthalen-1-yl-10-thia-2,3,4,7,12,15-hexazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),4,6,11,13,15-hexaen-8-one?
5-naphthalen-1-yl-10-thia-2,3,4,7,12,15-hexazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),4,6,11,13,15-hexaen-8-one has a molecular weight of 370.40 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-yl-10-thia-2,3,4,7,12,15-hexazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),4,6,11,13,15-hexaen-8-one is sourced from PubChem (CID 134853336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).