9-(4-dibenzothiophen-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene

C32H19N3S — CID 130393323

IUPAC9-(4-dibenzothiophen-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
SMILESc1ccc2c(c1)nc(-c1ccc(-c3ccc4sc5ccccc5c4c3)cc1)c1c2nc2ccccn21
InChIInChI=1S/C32H19N3S/c1-3-9-26-24(8-1)31-32(35-18-6-5-11-29(35)34-31)30(33-26)21-14-12-20(13-15-21)22-16-17-28-25(19-22)23-7-2-4-10-27(23)36-28/h1-19H
InChIKeyRFEKVXKXLZUJSF-UHFFFAOYSA-N
MW477.59 g/mol
LogP8.74
Rot. Bonds2

About 9-(4-dibenzothiophen-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene

9-(4-dibenzothiophen-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene (PubChem CID 130393323) has the molecular formula C32H19N3S and a molecular weight of 477.59 g/mol. Its IUPAC name is 9-(4-dibenzothiophen-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene.

Molecular Properties

Compound Name9-(4-dibenzothiophen-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
PubChem CID130393323
Molecular FormulaC32H19N3S
Molecular Weight477.59 g/mol
Exact Mass477.13
IUPAC Name9-(4-dibenzothiophen-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
SMILESc1ccc2c(c1)nc(-c1ccc(-c3ccc4sc5ccccc5c4c3)cc1)c1c2nc2ccccn21
InChIInChI=1S/C32H19N3S/c1-3-9-26-24(8-1)31-32(35-18-6-5-11-29(35)34-31)30(33-26)21-14-12-20(13-15-21)22-16-17-28-25(19-22)23-7-2-4-10-27(23)36-28/h1-19H
InChIKeyRFEKVXKXLZUJSF-UHFFFAOYSA-N
XLogP8.74
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.59
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(4-dibenzothiophen-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-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

9-(3-dibenzothiophen-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 130392867
2-phenyl-5-[4-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)phenyl]-1,3-benzothiazole
CID 130392854
9-(4-phenanthren-9-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 130392950
9-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 130393650
8-[4-[3-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 130393534
9-(4-nitrophenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 101436702
9-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 130392828
N,N-bis(4-phenylphenyl)-3-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)aniline;N,N-diphenyl-3-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)phenyl]aniline
CID 158587057
9-[3-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 130393635
3-[3-(4-dibenzothiophen-3-ylphenyl)phenyl]-2-phenylimidazo[1,2-a]pyridine
CID 155307077
9-[3-[4-(9-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaenyl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 130392878
2-dibenzothiophen-2-yl-3-(4-naphthalen-2-ylphenyl)quinoxaline
CID 164956800

Frequently Asked Questions

What is the IUPAC name of 9-(4-dibenzothiophen-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
The IUPAC name of 9-(4-dibenzothiophen-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene (CID 130393323) is 9-(4-dibenzothiophen-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene.
What is the SMILES notation for 9-(4-dibenzothiophen-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
The canonical SMILES for 9-(4-dibenzothiophen-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene is c1ccc2c(c1)nc(-c1ccc(-c3ccc4sc5ccccc5c4c3)cc1)c1c2nc2ccccn21.
What is the InChIKey of 9-(4-dibenzothiophen-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
The InChIKey is RFEKVXKXLZUJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19N3S/c1-3-9-26-24(8-1)31-32(35-18-6-5-11-29(35)34-31)30(33-26)21-14-12-20(13-15-21)22-16-17-28-25(19-22)23-7-2-4-10-27(23)36-28/h1-19H.
What are the key properties of 9-(4-dibenzothiophen-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
9-(4-dibenzothiophen-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene has a molecular weight of 477.59 g/mol, XLogP of 8.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-dibenzothiophen-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene is sourced from PubChem (CID 130393323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).