4-dibenzothiophen-2-yl-N-[(2E,4Z)-hepta-2,4-dien-3-yl]aniline

C25H23NS — CID 166879246

IUPAC4-dibenzothiophen-2-yl-N-[(2E,4Z)-hepta-2,4-dien-3-yl]aniline
SMILESC/C=C(\C=C/CC)Nc1ccc(-c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C25H23NS/c1-3-5-8-20(4-2)26-21-14-11-18(12-15-21)19-13-16-25-23(17-19)22-9-6-7-10-24(22)27-25/h4-17,26H,3H2,1-2H3/b8-5-,20-4+
InChIKeyHOJSWIGAXYFQKC-BGSINUBSSA-N
MW369.53 g/mol
LogP8.00
Rot. Bonds5

About 4-dibenzothiophen-2-yl-N-[(2E,4Z)-hepta-2,4-dien-3-yl]aniline

4-dibenzothiophen-2-yl-N-[(2E,4Z)-hepta-2,4-dien-3-yl]aniline (PubChem CID 166879246) has the molecular formula C25H23NS and a molecular weight of 369.53 g/mol. Its IUPAC name is 4-dibenzothiophen-2-yl-N-[(2E,4Z)-hepta-2,4-dien-3-yl]aniline.

Molecular Properties

Compound Name4-dibenzothiophen-2-yl-N-[(2E,4Z)-hepta-2,4-dien-3-yl]aniline
PubChem CID166879246
Molecular FormulaC25H23NS
Molecular Weight369.53 g/mol
Exact Mass369.16
IUPAC Name4-dibenzothiophen-2-yl-N-[(2E,4Z)-hepta-2,4-dien-3-yl]aniline
SMILESC/C=C(\C=C/CC)Nc1ccc(-c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C25H23NS/c1-3-5-8-20(4-2)26-21-14-11-18(12-15-21)19-13-16-25-23(17-19)22-9-6-7-10-24(22)27-25/h4-17,26H,3H2,1-2H3/b8-5-,20-4+
InChIKeyHOJSWIGAXYFQKC-BGSINUBSSA-N
XLogP8.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.53
LogP ≤ 58.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-dibenzothiophen-2-yl-N-[(2E,4Z)-hepta-2,4-dien-3-yl]aniline 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-[4-[4-(4-ethylphenyl)phenyl]phenyl]dibenzothiophene
CID 126745943
2-(4-iodophenyl)dibenzothiophene
CID 118465203
N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90350992
4-(9H-carbazol-3-yl)-N-(4-dibenzothiophen-2-ylphenyl)aniline
CID 145299761
N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-triphenylen-2-ylaniline
CID 118214585
N-methyldibenzothiophen-2-amine
CID 138617905
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,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 139552059
4-[3,5-di(dibenzothiophen-2-yl)phenyl]-N,N-diphenylaniline
CID 121383193
2-[4-(1-methylnaphthalen-2-yl)phenyl]dibenzothiophene
CID 135245249
2-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophene
CID 90295288

Frequently Asked Questions

What is the IUPAC name of 4-dibenzothiophen-2-yl-N-[(2E,4Z)-hepta-2,4-dien-3-yl]aniline?
The IUPAC name of 4-dibenzothiophen-2-yl-N-[(2E,4Z)-hepta-2,4-dien-3-yl]aniline (CID 166879246) is 4-dibenzothiophen-2-yl-N-[(2E,4Z)-hepta-2,4-dien-3-yl]aniline.
What is the SMILES notation for 4-dibenzothiophen-2-yl-N-[(2E,4Z)-hepta-2,4-dien-3-yl]aniline?
The canonical SMILES for 4-dibenzothiophen-2-yl-N-[(2E,4Z)-hepta-2,4-dien-3-yl]aniline is C/C=C(\C=C/CC)Nc1ccc(-c2ccc3sc4ccccc4c3c2)cc1.
What is the InChIKey of 4-dibenzothiophen-2-yl-N-[(2E,4Z)-hepta-2,4-dien-3-yl]aniline?
The InChIKey is HOJSWIGAXYFQKC-BGSINUBSSA-N. The full InChI is InChI=1S/C25H23NS/c1-3-5-8-20(4-2)26-21-14-11-18(12-15-21)19-13-16-25-23(17-19)22-9-6-7-10-24(22)27-25/h4-17,26H,3H2,1-2H3/b8-5-,20-4+.
What are the key properties of 4-dibenzothiophen-2-yl-N-[(2E,4Z)-hepta-2,4-dien-3-yl]aniline?
4-dibenzothiophen-2-yl-N-[(2E,4Z)-hepta-2,4-dien-3-yl]aniline has a molecular weight of 369.53 g/mol, XLogP of 8.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzothiophen-2-yl-N-[(2E,4Z)-hepta-2,4-dien-3-yl]aniline is sourced from PubChem (CID 166879246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).