14-phenyl-17-thia-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene

C20H12N2S — CID 129129297

IUPAC14-phenyl-17-thia-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
SMILESc1ccc(-c2ncc3c(n2)sc2c4ccccc4ccc32)cc1
InChIInChI=1S/C20H12N2S/c1-2-7-14(8-3-1)19-21-12-17-16-11-10-13-6-4-5-9-15(13)18(16)23-20(17)22-19/h1-12H
InChIKeyODNPCOGETGONRE-UHFFFAOYSA-N
MW312.40 g/mol
LogP5.66
Rot. Bonds1

About 14-phenyl-17-thia-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene

14-phenyl-17-thia-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene (PubChem CID 129129297) has the molecular formula C20H12N2S and a molecular weight of 312.40 g/mol. Its IUPAC name is 14-phenyl-17-thia-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene.

Molecular Properties

Compound Name14-phenyl-17-thia-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
PubChem CID129129297
Molecular FormulaC20H12N2S
Molecular Weight312.40 g/mol
Exact Mass312.07
IUPAC Name14-phenyl-17-thia-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
SMILESc1ccc(-c2ncc3c(n2)sc2c4ccccc4ccc32)cc1
InChIInChI=1S/C20H12N2S/c1-2-7-14(8-3-1)19-21-12-17-16-11-10-13-6-4-5-9-15(13)18(16)23-20(17)22-19/h1-12H
InChIKeyODNPCOGETGONRE-UHFFFAOYSA-N
XLogP5.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.40
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 14-phenyl-17-thia-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene with MolForge

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Related Compounds

15-phenyl-17-thia-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
CID 168721207
2-naphtho[1,2-b][1]benzothiol-9-yl-5-(10-phenylanthracen-9-yl)pyridine
CID 147699364
2,4-diphenylpyrimidine;triphenylene
CID 175536318
10-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzothiole
CID 122425736
8-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzothiole
CID 118503423
2,4-bis(4-phenylphenyl)-6-[4-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-1,3,5-triazine
CID 139447186
2-phenylquinazoline
CID 158733567
2-naphtho[1,2-b][1]benzothiol-4-yl-4,6-diphenyl-1,3,5-triazine
CID 146658673
2-naphtho[1,2-b][1]benzothiol-3-yl-4-phenylbenzo[h]quinazoline
CID 155473733
13-(2,4-diphenylpyrimidin-5-yl)-[1]benzothiolo[3,2-c]phenanthridine
CID 126701968
2-naphthalen-2-yl-4-(4-phenylphenyl)-6-(25-thiahexacyclo[12.11.0.02,11.03,8.015,24.018,23]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-13-yl)-1,3,5-triazine
CID 166845524
2,4-diphenylpyrimidine;yttrium
CID 59738567

Frequently Asked Questions

What is the IUPAC name of 14-phenyl-17-thia-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene?
The IUPAC name of 14-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 129129297) is 14-phenyl-17-thia-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene.
What is the SMILES notation for 14-phenyl-17-thia-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene?
The canonical SMILES for 14-phenyl-17-thia-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene is c1ccc(-c2ncc3c(n2)sc2c4ccccc4ccc32)cc1.
What is the InChIKey of 14-phenyl-17-thia-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene?
The InChIKey is ODNPCOGETGONRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2S/c1-2-7-14(8-3-1)19-21-12-17-16-11-10-13-6-4-5-9-15(13)18(16)23-20(17)22-19/h1-12H.
What are the key properties of 14-phenyl-17-thia-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene?
14-phenyl-17-thia-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene has a molecular weight of 312.40 g/mol, XLogP of 5.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-phenyl-17-thia-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene is sourced from PubChem (CID 129129297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).