hydrazine;8-[3-[3-[(E)-3-phenyl-3-(4-phenylphenyl)prop-2-enyl]phenyl]phenyl]naphtho[2,1-b][1]benzothiole

C49H38N2S — CID 142294297

IUPAChydrazine;8-[3-[3-[(E)-3-phenyl-3-(4-phenylphenyl)prop-2-enyl]phenyl]phenyl]naphtho[2,1-b][1]benzothiole
SMILESC(\Cc1cccc(-c2cccc(-c3cccc4c3sc3ccc5ccccc5c34)c2)c1)=C(\c1ccccc1)c1ccc(-c2ccccc2)cc1.NN
InChIInChI=1S/C49H34S.H4N2/c1-3-13-35(14-4-1)36-25-27-39(28-26-36)43(37-15-5-2-6-16-37)30-24-34-12-9-18-40(32-34)41-19-10-20-42(33-41)45-22-11-23-46-48-44-21-8-7-17-38(44)29-31-47(48)50-49(45)46;1-2/h1-23,25-33H,24H2;1-2H2/b43-30+;
InChIKeyUKPCMHRJXDKGDE-NCSFMBEMSA-N
MW686.92 g/mol
LogP12.70
Rot. Bonds7

About hydrazine;8-[3-[3-[(E)-3-phenyl-3-(4-phenylphenyl)prop-2-enyl]phenyl]phenyl]naphtho[2,1-b][1]benzothiole

hydrazine;8-[3-[3-[(E)-3-phenyl-3-(4-phenylphenyl)prop-2-enyl]phenyl]phenyl]naphtho[2,1-b][1]benzothiole (PubChem CID 142294297) has the molecular formula C49H38N2S and a molecular weight of 686.92 g/mol. Its IUPAC name is hydrazine;8-[3-[3-[(E)-3-phenyl-3-(4-phenylphenyl)prop-2-enyl]phenyl]phenyl]naphtho[2,1-b][1]benzothiole.

Molecular Properties

Compound Namehydrazine;8-[3-[3-[(E)-3-phenyl-3-(4-phenylphenyl)prop-2-enyl]phenyl]phenyl]naphtho[2,1-b][1]benzothiole
PubChem CID142294297
Molecular FormulaC49H38N2S
Molecular Weight686.92 g/mol
Exact Mass686.28
IUPAC Namehydrazine;8-[3-[3-[(E)-3-phenyl-3-(4-phenylphenyl)prop-2-enyl]phenyl]phenyl]naphtho[2,1-b][1]benzothiole
SMILESC(\Cc1cccc(-c2cccc(-c3cccc4c3sc3ccc5ccccc5c34)c2)c1)=C(\c1ccccc1)c1ccc(-c2ccccc2)cc1.NN
InChIInChI=1S/C49H34S.H4N2/c1-3-13-35(14-4-1)36-25-27-39(28-26-36)43(37-15-5-2-6-16-37)30-24-34-12-9-18-40(32-34)41-19-10-20-42(33-41)45-22-11-23-46-48-44-21-8-7-17-38(44)29-31-47(48)50-49(45)46;1-2/h1-23,25-33H,24H2;1-2H2/b43-30+;
InChIKeyUKPCMHRJXDKGDE-NCSFMBEMSA-N
XLogP12.70
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.92
LogP ≤ 512.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze hydrazine;8-[3-[3-[(E)-3-phenyl-3-(4-phenylphenyl)prop-2-enyl]phenyl]phenyl]naphtho[2,1-b][1]benzothiole 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

N-[4-(3-naphtho[2,1-b][1]benzothiol-8-ylphenyl)phenyl]-N,4-diphenylaniline
CID 121261326
8-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzothiole
CID 122426590
3-naphtho[2,1-b][1]benzothiol-8-yl-N,N-bis(4-phenylphenyl)aniline
CID 121323447
8-(3-methylphenyl)naphtho[2,1-b][1]benzothiole
CID 166880433
N'-[(Z)-1-(4-phenylphenyl)-3-[3-(3-thia-12-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-11-yl)phenyl]prop-1-enyl]benzenecarboximidamide
CID 162703558
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-[3-(9-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
CID 170214084
2-(3-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)-6-[6-(3-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 164808507
15-naphthalen-1-yl-13-[3-(3-phenylphenyl)phenyl]-11-thia-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
CID 129128911
2-(3-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 164808570
13-phenyl-15-(3-phenylphenyl)-11-thia-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
CID 129128966
2-[4-[3-(7,9-diphenyldibenzothiophen-4-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164838372
7-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzothiole
CID 164972797

Frequently Asked Questions

What is the IUPAC name of hydrazine;8-[3-[3-[(E)-3-phenyl-3-(4-phenylphenyl)prop-2-enyl]phenyl]phenyl]naphtho[2,1-b][1]benzothiole?
The IUPAC name of hydrazine;8-[3-[3-[(E)-3-phenyl-3-(4-phenylphenyl)prop-2-enyl]phenyl]phenyl]naphtho[2,1-b][1]benzothiole (CID 142294297) is hydrazine;8-[3-[3-[(E)-3-phenyl-3-(4-phenylphenyl)prop-2-enyl]phenyl]phenyl]naphtho[2,1-b][1]benzothiole.
What is the SMILES notation for hydrazine;8-[3-[3-[(E)-3-phenyl-3-(4-phenylphenyl)prop-2-enyl]phenyl]phenyl]naphtho[2,1-b][1]benzothiole?
The canonical SMILES for hydrazine;8-[3-[3-[(E)-3-phenyl-3-(4-phenylphenyl)prop-2-enyl]phenyl]phenyl]naphtho[2,1-b][1]benzothiole is C(\Cc1cccc(-c2cccc(-c3cccc4c3sc3ccc5ccccc5c34)c2)c1)=C(\c1ccccc1)c1ccc(-c2ccccc2)cc1.NN.
What is the InChIKey of hydrazine;8-[3-[3-[(E)-3-phenyl-3-(4-phenylphenyl)prop-2-enyl]phenyl]phenyl]naphtho[2,1-b][1]benzothiole?
The InChIKey is UKPCMHRJXDKGDE-NCSFMBEMSA-N. The full InChI is InChI=1S/C49H34S.H4N2/c1-3-13-35(14-4-1)36-25-27-39(28-26-36)43(37-15-5-2-6-16-37)30-24-34-12-9-18-40(32-34)41-19-10-20-42(33-41)45-22-11-23-46-48-44-21-8-7-17-38(44)29-31-47(48)50-49(45)46;1-2/h1-23,25-33H,24H2;1-2H2/b43-30+;.
What are the key properties of hydrazine;8-[3-[3-[(E)-3-phenyl-3-(4-phenylphenyl)prop-2-enyl]phenyl]phenyl]naphtho[2,1-b][1]benzothiole?
hydrazine;8-[3-[3-[(E)-3-phenyl-3-(4-phenylphenyl)prop-2-enyl]phenyl]phenyl]naphtho[2,1-b][1]benzothiole has a molecular weight of 686.92 g/mol, XLogP of 12.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazine;8-[3-[3-[(E)-3-phenyl-3-(4-phenylphenyl)prop-2-enyl]phenyl]phenyl]naphtho[2,1-b][1]benzothiole is sourced from PubChem (CID 142294297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).