7-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenyldibenzothiophen-3-amine

C54H37NS — CID 89075012

IUPAC7-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenyldibenzothiophen-3-amine
SMILESC(=C/c1ccc2c(c1)sc1cc(N(c3ccccc3)c3ccccc3)ccc12)\c1ccc(-c2ccc(-c3ccccc3)c3c(-c4ccccc4)cccc23)cc1
InChIInChI=1S/C54H37NS/c1-5-14-40(15-6-1)47-22-13-23-51-46(34-35-48(54(47)51)41-16-7-2-8-17-41)42-29-26-38(27-30-42)24-25-39-28-32-49-50-33-31-45(37-53(50)56-52(49)36-39)55(43-18-9-3-10-19-43)44-20-11-4-12-21-44/h1-37H/b25-24+
InChIKeyICADKKNJMMWSNC-OCOZRVBESA-N
MW731.96 g/mol
LogP15.85
Rot. Bonds8

About 7-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenyldibenzothiophen-3-amine

7-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenyldibenzothiophen-3-amine (PubChem CID 89075012) has the molecular formula C54H37NS and a molecular weight of 731.96 g/mol. Its IUPAC name is 7-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenyldibenzothiophen-3-amine.

Molecular Properties

Compound Name7-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenyldibenzothiophen-3-amine
PubChem CID89075012
Molecular FormulaC54H37NS
Molecular Weight731.96 g/mol
Exact Mass731.26
IUPAC Name7-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenyldibenzothiophen-3-amine
SMILESC(=C/c1ccc2c(c1)sc1cc(N(c3ccccc3)c3ccccc3)ccc12)\c1ccc(-c2ccc(-c3ccccc3)c3c(-c4ccccc4)cccc23)cc1
InChIInChI=1S/C54H37NS/c1-5-14-40(15-6-1)47-22-13-23-51-46(34-35-48(54(47)51)41-16-7-2-8-17-41)42-29-26-38(27-30-42)24-25-39-28-32-49-50-33-31-45(37-53(50)56-52(49)36-39)55(43-18-9-3-10-19-43)44-20-11-4-12-21-44/h1-37H/b25-24+
InChIKeyICADKKNJMMWSNC-OCOZRVBESA-N
XLogP15.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.96
LogP ≤ 515.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenyldibenzothiophen-3-amine with MolForge

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Related Compounds

N-phenyl-N-[4-[6-(N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzothiophen-3-amine
CID 166917554
1-N-dibenzothiophen-3-yl-4-N-phenyl-4-N-(4-phenylnaphthalen-1-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 177116967
N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]dibenzothiophen-3-amine
CID 153299795
7'-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine
CID 89074839
3-N,3-N,7-N,7-N-tetrakis(4-phenylphenyl)dibenzothiophene-3,7-diamine
CID 121327972
N-[4-(4-phenylphenyl)phenyl]-N-tetraphenylen-2-yldibenzothiophen-3-amine
CID 139297951
7-[2-[6-(5,8-diphenylnaphthalen-1-yl)naphthalen-2-yl]ethenyl]-N,N,9-triphenylcarbazol-2-amine
CID 91280076
N-(3-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine
CID 167324291
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 139355163
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzothiol-3-amine
CID 170272717
N-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 154031425
5-[4-(N-dibenzothiophen-3-yl-3-phenylanilino)naphthalen-1-yl]-1-N,1-N,3-N-triphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 146588762

Frequently Asked Questions

What is the IUPAC name of 7-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenyldibenzothiophen-3-amine?
The IUPAC name of 7-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenyldibenzothiophen-3-amine (CID 89075012) is 7-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenyldibenzothiophen-3-amine.
What is the SMILES notation for 7-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenyldibenzothiophen-3-amine?
The canonical SMILES for 7-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenyldibenzothiophen-3-amine is C(=C/c1ccc2c(c1)sc1cc(N(c3ccccc3)c3ccccc3)ccc12)\c1ccc(-c2ccc(-c3ccccc3)c3c(-c4ccccc4)cccc23)cc1.
What is the InChIKey of 7-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenyldibenzothiophen-3-amine?
The InChIKey is ICADKKNJMMWSNC-OCOZRVBESA-N. The full InChI is InChI=1S/C54H37NS/c1-5-14-40(15-6-1)47-22-13-23-51-46(34-35-48(54(47)51)41-16-7-2-8-17-41)42-29-26-38(27-30-42)24-25-39-28-32-49-50-33-31-45(37-53(50)56-52(49)36-39)55(43-18-9-3-10-19-43)44-20-11-4-12-21-44/h1-37H/b25-24+.
What are the key properties of 7-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenyldibenzothiophen-3-amine?
7-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenyldibenzothiophen-3-amine has a molecular weight of 731.96 g/mol, XLogP of 15.85, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenyldibenzothiophen-3-amine is sourced from PubChem (CID 89075012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).