1-phenyl-N-(8-phenyldibenzothiophen-3-yl)methanimine

C25H17NS — CID 156524681

IUPAC1-phenyl-N-(8-phenyldibenzothiophen-3-yl)methanimine
SMILESC(=N/c1ccc2c(c1)sc1ccc(-c3ccccc3)cc12)\c1ccccc1
InChIInChI=1S/C25H17NS/c1-3-7-18(8-4-1)17-26-21-12-13-22-23-15-20(19-9-5-2-6-10-19)11-14-24(23)27-25(22)16-21/h1-17H/b26-17+
InChIKeySZMGHAQXFRPFPL-YZSQISJMSA-N
MW363.49 g/mol
LogP7.47
Rot. Bonds3

About 1-phenyl-N-(8-phenyldibenzothiophen-3-yl)methanimine

1-phenyl-N-(8-phenyldibenzothiophen-3-yl)methanimine (PubChem CID 156524681) has the molecular formula C25H17NS and a molecular weight of 363.49 g/mol. Its IUPAC name is 1-phenyl-N-(8-phenyldibenzothiophen-3-yl)methanimine.

Molecular Properties

Compound Name1-phenyl-N-(8-phenyldibenzothiophen-3-yl)methanimine
PubChem CID156524681
Molecular FormulaC25H17NS
Molecular Weight363.49 g/mol
Exact Mass363.11
IUPAC Name1-phenyl-N-(8-phenyldibenzothiophen-3-yl)methanimine
SMILESC(=N/c1ccc2c(c1)sc1ccc(-c3ccccc3)cc12)\c1ccccc1
InChIInChI=1S/C25H17NS/c1-3-7-18(8-4-1)17-26-21-12-13-22-23-15-20(19-9-5-2-6-10-19)11-14-24(23)27-25(22)16-21/h1-17H/b26-17+
InChIKeySZMGHAQXFRPFPL-YZSQISJMSA-N
XLogP7.47
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.49
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-phenyl-N-(8-phenyldibenzothiophen-3-yl)methanimine 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

2-phenyl-8-[7-(8-phenyldibenzothiophen-2-yl)triphenylen-2-yl]dibenzothiophene
CID 144568506
20-[3-(8-phenyldibenzothiophen-2-yl)phenyl]-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 155006729
2,4-diphenyl-6-[8-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 166952615
2-(7-dibenzothiophen-2-yldibenzothiophen-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155377206
2-dibenzothiophen-2-yl-4-phenyl-6-(7-phenyldibenzothiophen-3-yl)-1,3,5-triazine
CID 171597129
2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3,5-triazine
CID 155049982
2-(7-dibenzothiophen-2-yl-9,10-diphenylanthracen-2-yl)dibenzothiophene
CID 59745938
2-[4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155328614
2,4-diphenyl-6-[8-[4-(4-triphenylen-2-ylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 149451405
4-phenyl-2-(7-phenyldibenzothiophen-2-yl)pyridine
CID 166574154
2-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)phenyl]-7-phenyldibenzothiophene
CID 162423627
2-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophene
CID 90295288

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(8-phenyldibenzothiophen-3-yl)methanimine?
The IUPAC name of 1-phenyl-N-(8-phenyldibenzothiophen-3-yl)methanimine (CID 156524681) is 1-phenyl-N-(8-phenyldibenzothiophen-3-yl)methanimine.
What is the SMILES notation for 1-phenyl-N-(8-phenyldibenzothiophen-3-yl)methanimine?
The canonical SMILES for 1-phenyl-N-(8-phenyldibenzothiophen-3-yl)methanimine is C(=N/c1ccc2c(c1)sc1ccc(-c3ccccc3)cc12)\c1ccccc1.
What is the InChIKey of 1-phenyl-N-(8-phenyldibenzothiophen-3-yl)methanimine?
The InChIKey is SZMGHAQXFRPFPL-YZSQISJMSA-N. The full InChI is InChI=1S/C25H17NS/c1-3-7-18(8-4-1)17-26-21-12-13-22-23-15-20(19-9-5-2-6-10-19)11-14-24(23)27-25(22)16-21/h1-17H/b26-17+.
What are the key properties of 1-phenyl-N-(8-phenyldibenzothiophen-3-yl)methanimine?
1-phenyl-N-(8-phenyldibenzothiophen-3-yl)methanimine has a molecular weight of 363.49 g/mol, XLogP of 7.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(8-phenyldibenzothiophen-3-yl)methanimine is sourced from PubChem (CID 156524681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).