1-(8-phenyldibenzothiophen-4-yl)-5,6,7,8-tetrahydroisoquinoline

C27H21NS — CID 166574367

IUPAC1-(8-phenyldibenzothiophen-4-yl)-5,6,7,8-tetrahydroisoquinoline
SMILESc1ccc(-c2ccc3sc4c(-c5nccc6c5CCCC6)cccc4c3c2)cc1
InChIInChI=1S/C27H21NS/c1-2-7-18(8-3-1)20-13-14-25-24(17-20)22-11-6-12-23(27(22)29-25)26-21-10-5-4-9-19(21)15-16-28-26/h1-3,6-8,11-17H,4-5,9-10H2
InChIKeyYBEKEQAHKRKPCL-UHFFFAOYSA-N
MW391.54 g/mol
LogP7.66
Rot. Bonds2

About 1-(8-phenyldibenzothiophen-4-yl)-5,6,7,8-tetrahydroisoquinoline

1-(8-phenyldibenzothiophen-4-yl)-5,6,7,8-tetrahydroisoquinoline (PubChem CID 166574367) has the molecular formula C27H21NS and a molecular weight of 391.54 g/mol. Its IUPAC name is 1-(8-phenyldibenzothiophen-4-yl)-5,6,7,8-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-(8-phenyldibenzothiophen-4-yl)-5,6,7,8-tetrahydroisoquinoline
PubChem CID166574367
Molecular FormulaC27H21NS
Molecular Weight391.54 g/mol
Exact Mass391.14
IUPAC Name1-(8-phenyldibenzothiophen-4-yl)-5,6,7,8-tetrahydroisoquinoline
SMILESc1ccc(-c2ccc3sc4c(-c5nccc6c5CCCC6)cccc4c3c2)cc1
InChIInChI=1S/C27H21NS/c1-2-7-18(8-3-1)20-13-14-25-24(17-20)22-11-6-12-23(27(22)29-25)26-21-10-5-4-9-19(21)15-16-28-26/h1-3,6-8,11-17H,4-5,9-10H2
InChIKeyYBEKEQAHKRKPCL-UHFFFAOYSA-N
XLogP7.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.54
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene
CID 118349922
2-[3-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]dibenzothiophene;4-[3-[3-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]phenyl]dibenzothiophene;4-[3-[4-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]phenyl]dibenzothiophene
CID 158944259
2-[3-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 122679618
2-(8-dibenzothiophen-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952729
2-dibenzothiophen-4-yl-4-phenyl-6-[4-[8-(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
CID 155329887
2-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952783
2-chloro-4-dibenzothiophen-4-yl-8-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 170529260
2-dibenzothiophen-4-yl-4-(2-dibenzothiophen-4-yl-3-pyridinyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 163566700
2-[8-(4-phenylphenyl)dibenzothiophen-4-yl]-4-propan-2-ylpyridine
CID 166574431
4-[3-[3-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]phenyl]dibenzothiophene
CID 118346451
6-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-2-[6-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophen-1-yl]dibenzothiophene
CID 153066120
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378

Frequently Asked Questions

What is the IUPAC name of 1-(8-phenyldibenzothiophen-4-yl)-5,6,7,8-tetrahydroisoquinoline?
The IUPAC name of 1-(8-phenyldibenzothiophen-4-yl)-5,6,7,8-tetrahydroisoquinoline (CID 166574367) is 1-(8-phenyldibenzothiophen-4-yl)-5,6,7,8-tetrahydroisoquinoline.
What is the SMILES notation for 1-(8-phenyldibenzothiophen-4-yl)-5,6,7,8-tetrahydroisoquinoline?
The canonical SMILES for 1-(8-phenyldibenzothiophen-4-yl)-5,6,7,8-tetrahydroisoquinoline is c1ccc(-c2ccc3sc4c(-c5nccc6c5CCCC6)cccc4c3c2)cc1.
What is the InChIKey of 1-(8-phenyldibenzothiophen-4-yl)-5,6,7,8-tetrahydroisoquinoline?
The InChIKey is YBEKEQAHKRKPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NS/c1-2-7-18(8-3-1)20-13-14-25-24(17-20)22-11-6-12-23(27(22)29-25)26-21-10-5-4-9-19(21)15-16-28-26/h1-3,6-8,11-17H,4-5,9-10H2.
What are the key properties of 1-(8-phenyldibenzothiophen-4-yl)-5,6,7,8-tetrahydroisoquinoline?
1-(8-phenyldibenzothiophen-4-yl)-5,6,7,8-tetrahydroisoquinoline has a molecular weight of 391.54 g/mol, XLogP of 7.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-phenyldibenzothiophen-4-yl)-5,6,7,8-tetrahydroisoquinoline is sourced from PubChem (CID 166574367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).