3-dibenzothiophen-3-yl-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene

C27H15NS — CID 59621539

IUPAC3-dibenzothiophen-3-yl-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
SMILESc1ccc2c(c1)-c1cccc3nc(-c4ccc5c(c4)sc4ccccc45)cc-2c13
InChIInChI=1S/C27H15NS/c1-2-7-18-17(6-1)21-9-5-10-23-27(21)22(18)15-24(28-23)16-12-13-20-19-8-3-4-11-25(19)29-26(20)14-16/h1-15H
InChIKeyXCJAZBGOGUJBKJ-UHFFFAOYSA-N
MW385.49 g/mol
LogP7.92
Rot. Bonds1

About 3-dibenzothiophen-3-yl-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene

3-dibenzothiophen-3-yl-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene (PubChem CID 59621539) has the molecular formula C27H15NS and a molecular weight of 385.49 g/mol. Its IUPAC name is 3-dibenzothiophen-3-yl-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene.

Molecular Properties

Compound Name3-dibenzothiophen-3-yl-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
PubChem CID59621539
Molecular FormulaC27H15NS
Molecular Weight385.49 g/mol
Exact Mass385.09
IUPAC Name3-dibenzothiophen-3-yl-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
SMILESc1ccc2c(c1)-c1cccc3nc(-c4ccc5c(c4)sc4ccccc45)cc-2c13
InChIInChI=1S/C27H15NS/c1-2-7-18-17(6-1)21-9-5-10-23-27(21)22(18)15-24(28-23)16-12-13-20-19-8-3-4-11-25(19)29-26(20)14-16/h1-15H
InChIKeyXCJAZBGOGUJBKJ-UHFFFAOYSA-N
XLogP7.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.49
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-dibenzothiophen-3-yl-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene with MolForge

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Related Compounds

3-(2H-dibenzothiophen-2-id-3-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;iridium
CID 59622151
2-chloro-4,6-di(dibenzothiophen-3-yl)pyrimidine
CID 135383460
3-(3-dibenzothiophen-2-ylcarbazol-9-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 130325912
4-(12-dibenzothiophen-3-yltriphenylen-2-yl)-2,6-diphenylpyrimidine
CID 138600017
4,6-di(dibenzothiophen-3-yl)-2-[3-(4-phenylphenyl)phenyl]pyrimidine
CID 138613712
2,4-di(dibenzothiophen-3-yl)-6-[3-(3-phenylphenyl)phenyl]pyrimidine
CID 138613719
4-dibenzothiophen-3-yl-2-iodo-6-(2-phenylphenyl)pyrimidine
CID 166850989
2-(5-dibenzothiophen-3-yltriphenylen-2-yl)-4,6-diphenylpyrimidine
CID 138600345
3-[3-(4-bromophenyl)phenyl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 59621656
4,6-di(dibenzothiophen-3-yl)-2-(3,5-diphenylphenyl)pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-[3-(3-phenylphenyl)phenyl]pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)pyrimidine
CID 160702038
4-(3-dibenzothiophen-3-yl-5-phenylphenyl)-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 171584552
8-(3-dibenzothiophen-3-ylquinoxalin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 146213933

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-3-yl-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene?
The IUPAC name of 3-dibenzothiophen-3-yl-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene (CID 59621539) is 3-dibenzothiophen-3-yl-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene.
What is the SMILES notation for 3-dibenzothiophen-3-yl-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene?
The canonical SMILES for 3-dibenzothiophen-3-yl-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene is c1ccc2c(c1)-c1cccc3nc(-c4ccc5c(c4)sc4ccccc45)cc-2c13.
What is the InChIKey of 3-dibenzothiophen-3-yl-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene?
The InChIKey is XCJAZBGOGUJBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H15NS/c1-2-7-18-17(6-1)21-9-5-10-23-27(21)22(18)15-24(28-23)16-12-13-20-19-8-3-4-11-25(19)29-26(20)14-16/h1-15H.
What are the key properties of 3-dibenzothiophen-3-yl-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene?
3-dibenzothiophen-3-yl-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene has a molecular weight of 385.49 g/mol, XLogP of 7.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-3-yl-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene is sourced from PubChem (CID 59621539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).