N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine

C58H39NS — CID 177128411

IUPACN-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5-c5ccccc5)cc4)c4ccc5c(c4)sc4ccccc45)cc3)c2)cc1
InChIInChI=1S/C58H39NS/c1-4-14-40(15-5-1)46-36-47(41-16-6-2-7-17-41)38-48(37-46)42-24-29-49(30-25-42)59(51-33-35-55-54-22-12-13-23-56(54)60-57(55)39-51)50-31-26-44(27-32-50)53-34-28-43-18-10-11-21-52(43)58(53)45-19-8-3-9-20-45/h1-39H
InChIKeyNMMWHFSVTNXSPI-UHFFFAOYSA-N
MW782.02 g/mol
LogP17.01
Rot. Bonds8

About N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine

N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine (PubChem CID 177128411) has the molecular formula C58H39NS and a molecular weight of 782.02 g/mol. Its IUPAC name is N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine
PubChem CID177128411
Molecular FormulaC58H39NS
Molecular Weight782.02 g/mol
Exact Mass781.28
IUPAC NameN-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5-c5ccccc5)cc4)c4ccc5c(c4)sc4ccccc45)cc3)c2)cc1
InChIInChI=1S/C58H39NS/c1-4-14-40(15-5-1)46-36-47(41-16-6-2-7-17-41)38-48(37-46)42-24-29-49(30-25-42)59(51-33-35-55-54-22-12-13-23-56(54)60-57(55)39-51)50-31-26-44(27-32-50)53-34-28-43-18-10-11-21-52(43)58(53)45-19-8-3-9-20-45/h1-39H
InChIKeyNMMWHFSVTNXSPI-UHFFFAOYSA-N
XLogP17.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.02
LogP ≤ 517.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 177098573
N-phenanthren-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 118122758
N-dibenzofuran-3-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 159197294
N-[4-(2,5-diphenylphenyl)phenyl]-9-methyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine
CID 177128281
N-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 154031425
N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 172526971
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 139355163
N,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172526975
N-(4-chrysen-6-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-3-amine
CID 170137061
N-[4-(4-phenylphenyl)phenyl]-N-tetraphenylen-2-yldibenzothiophen-3-amine
CID 139297951
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine?
The IUPAC name of N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine (CID 177128411) is N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine.
What is the SMILES notation for N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine?
The canonical SMILES for N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5-c5ccccc5)cc4)c4ccc5c(c4)sc4ccccc45)cc3)c2)cc1.
What is the InChIKey of N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine?
The InChIKey is NMMWHFSVTNXSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NS/c1-4-14-40(15-5-1)46-36-47(41-16-6-2-7-17-41)38-48(37-46)42-24-29-49(30-25-42)59(51-33-35-55-54-22-12-13-23-56(54)60-57(55)39-51)50-31-26-44(27-32-50)53-34-28-43-18-10-11-21-52(43)58(53)45-19-8-3-9-20-45/h1-39H.
What are the key properties of N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine?
N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine has a molecular weight of 782.02 g/mol, XLogP of 17.01, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine is sourced from PubChem (CID 177128411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).