N-phenyl-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine

C58H39NS — CID 161434053

IUPACN-phenyl-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine
SMILESc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c3cc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)sc5ccccc56)cc4)ccc3c2-c2ccccc2)cc1
InChIInChI=1S/C58H39NS/c1-6-18-41(19-7-1)55-51-36-32-45(38-52(51)56(42-20-8-2-9-21-42)58(44-24-12-4-13-25-44)57(55)43-22-10-3-11-23-43)40-30-33-47(34-31-40)59(46-26-14-5-15-27-46)48-35-37-50-49-28-16-17-29-53(49)60-54(50)39-48/h1-39H
InChIKeyLWKWSARQQWYORU-UHFFFAOYSA-N
MW782.02 g/mol
LogP17.01
Rot. Bonds8

About N-phenyl-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine

N-phenyl-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine (PubChem CID 161434053) has the molecular formula C58H39NS and a molecular weight of 782.02 g/mol. Its IUPAC name is N-phenyl-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine
PubChem CID161434053
Molecular FormulaC58H39NS
Molecular Weight782.02 g/mol
Exact Mass781.28
IUPAC NameN-phenyl-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine
SMILESc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c3cc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)sc5ccccc56)cc4)ccc3c2-c2ccccc2)cc1
InChIInChI=1S/C58H39NS/c1-6-18-41(19-7-1)55-51-36-32-45(38-52(51)56(42-20-8-2-9-21-42)58(44-24-12-4-13-25-44)57(55)43-22-10-3-11-23-43)40-30-33-47(34-31-40)59(46-26-14-5-15-27-46)48-35-37-50-49-28-16-17-29-53(49)60-54(50)39-48/h1-39H
InChIKeyLWKWSARQQWYORU-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-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-3-amine
CID 169065390
N-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 154031425
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3,5-diphenylphenyl)dibenzothiophen-2-amine
CID 169062180
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 131979873
8-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90076252
N-(3-dibenzothiophen-4-ylphenyl)-3-(9,10-diphenylphenanthren-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169064842
N-(4-dibenzothiophen-4-ylphenyl)-3-(9,10-diphenylphenanthren-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169064173
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 121261333
3-(8-dibenzothiophen-3-yldibenzothiophen-2-yl)-N,N-diphenylaniline
CID 90076169
2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 131979910
N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N,4-diphenylaniline
CID 118186818
N-(4-dibenzothiophen-4-ylphenyl)-3-(9,10-diphenylphenanthren-2-yl)-N-phenylaniline
CID 169065539

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine?
The IUPAC name of N-phenyl-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine (CID 161434053) is N-phenyl-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine.
What is the SMILES notation for N-phenyl-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine?
The canonical SMILES for N-phenyl-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine is c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c3cc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)sc5ccccc56)cc4)ccc3c2-c2ccccc2)cc1.
What is the InChIKey of N-phenyl-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine?
The InChIKey is LWKWSARQQWYORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NS/c1-6-18-41(19-7-1)55-51-36-32-45(38-52(51)56(42-20-8-2-9-21-42)58(44-24-12-4-13-25-44)57(55)43-22-10-3-11-23-43)40-30-33-47(34-31-40)59(46-26-14-5-15-27-46)48-35-37-50-49-28-16-17-29-53(49)60-54(50)39-48/h1-39H.
What are the key properties of N-phenyl-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine?
N-phenyl-N-[4-(5,6,7,8-tetraphenylnaphthalen-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-phenyl-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine is sourced from PubChem (CID 161434053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).