[8-(4-phenylphenyl)dibenzothiophen-1-yl]methanimine

C25H17NS — CID 145447302

IUPAC[8-(4-phenylphenyl)dibenzothiophen-1-yl]methanimine
SMILES[H]/N=C/c1cccc2sc3ccc(-c4ccc(-c5ccccc5)cc4)cc3c12
InChIInChI=1S/C25H17NS/c26-16-21-7-4-8-24-25(21)22-15-20(13-14-23(22)27-24)19-11-9-18(10-12-19)17-5-2-1-3-6-17/h1-16,26H/b26-16+
InChIKeyYCCTVKAKBDNCJV-WGOQTCKBSA-N
MW363.49 g/mol
LogP7.39
Rot. Bonds3

About [8-(4-phenylphenyl)dibenzothiophen-1-yl]methanimine

[8-(4-phenylphenyl)dibenzothiophen-1-yl]methanimine (PubChem CID 145447302) has the molecular formula C25H17NS and a molecular weight of 363.49 g/mol. Its IUPAC name is [8-(4-phenylphenyl)dibenzothiophen-1-yl]methanimine.

Molecular Properties

Compound Name[8-(4-phenylphenyl)dibenzothiophen-1-yl]methanimine
PubChem CID145447302
Molecular FormulaC25H17NS
Molecular Weight363.49 g/mol
Exact Mass363.11
IUPAC Name[8-(4-phenylphenyl)dibenzothiophen-1-yl]methanimine
SMILES[H]/N=C/c1cccc2sc3ccc(-c4ccc(-c5ccccc5)cc4)cc3c12
InChIInChI=1S/C25H17NS/c26-16-21-7-4-8-24-25(21)22-15-20(13-14-23(22)27-24)19-11-9-18(10-12-19)17-5-2-1-3-6-17/h1-16,26H/b26-16+
InChIKeyYCCTVKAKBDNCJV-WGOQTCKBSA-N
XLogP7.39
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.49
LogP ≤ 57.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[8-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]methanimine
CID 145447392
N-benzylmethanimine;[8-[3-phenyl-2-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]methanimine;toluene
CID 145447897
[8-(9-phenyldibenzothiophen-1-yl)dibenzofuran-1-yl]methanimine
CID 156643036
N-[(3-dibenzothiophen-3-ylphenyl)methyl]-1-[8-(3-phenylphenyl)dibenzothiophen-1-yl]methanimine
CID 145447357
2,4-diphenyl-6-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134199031
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118640902
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261318
N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90350992
N,4-diphenyl-N-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]aniline
CID 121296540
9-(8-dibenzothiophen-1-yldibenzothiophen-1-yl)-3,6-diphenylcarbazole
CID 170278932
(3-dibenzothiophen-1-ylphenyl)-(3-phenylphenyl)methanimine
CID 142319431
2,4-diphenyl-6-[8-[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-[4-[4-(4-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 159903091

Frequently Asked Questions

What is the IUPAC name of [8-(4-phenylphenyl)dibenzothiophen-1-yl]methanimine?
The IUPAC name of [8-(4-phenylphenyl)dibenzothiophen-1-yl]methanimine (CID 145447302) is [8-(4-phenylphenyl)dibenzothiophen-1-yl]methanimine.
What is the SMILES notation for [8-(4-phenylphenyl)dibenzothiophen-1-yl]methanimine?
The canonical SMILES for [8-(4-phenylphenyl)dibenzothiophen-1-yl]methanimine is [H]/N=C/c1cccc2sc3ccc(-c4ccc(-c5ccccc5)cc4)cc3c12.
What is the InChIKey of [8-(4-phenylphenyl)dibenzothiophen-1-yl]methanimine?
The InChIKey is YCCTVKAKBDNCJV-WGOQTCKBSA-N. The full InChI is InChI=1S/C25H17NS/c26-16-21-7-4-8-24-25(21)22-15-20(13-14-23(22)27-24)19-11-9-18(10-12-19)17-5-2-1-3-6-17/h1-16,26H/b26-16+.
What are the key properties of [8-(4-phenylphenyl)dibenzothiophen-1-yl]methanimine?
[8-(4-phenylphenyl)dibenzothiophen-1-yl]methanimine has a molecular weight of 363.49 g/mol, XLogP of 7.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(4-phenylphenyl)dibenzothiophen-1-yl]methanimine is sourced from PubChem (CID 145447302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).