N-(4-dibenzothiophen-2-ylphenyl)-5-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline

C62H41NS — CID 167235358

IUPACN-(4-dibenzothiophen-2-ylphenyl)-5-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
SMILESc1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2N(c2ccc(-c3ccc(-c4cccc5ccccc45)cc3)cc2)c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C62H41NS/c1-2-12-47(13-3-1)57-37-31-52(50-26-23-42-11-4-5-15-49(42)39-50)41-60(57)63(54-35-29-45(30-36-54)51-32-38-62-59(40-51)58-18-8-9-20-61(58)64-62)53-33-27-44(28-34-53)43-21-24-48(25-22-43)56-19-10-16-46-14-6-7-17-55(46)56/h1-41H
InChIKeyRSOLLDGDCWIPBN-UHFFFAOYSA-N
MW832.08 g/mol
LogP18.17
Rot. Bonds8

About N-(4-dibenzothiophen-2-ylphenyl)-5-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline

N-(4-dibenzothiophen-2-ylphenyl)-5-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline (PubChem CID 167235358) has the molecular formula C62H41NS and a molecular weight of 832.08 g/mol. Its IUPAC name is N-(4-dibenzothiophen-2-ylphenyl)-5-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline.

Molecular Properties

Compound NameN-(4-dibenzothiophen-2-ylphenyl)-5-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
PubChem CID167235358
Molecular FormulaC62H41NS
Molecular Weight832.08 g/mol
Exact Mass831.30
IUPAC NameN-(4-dibenzothiophen-2-ylphenyl)-5-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
SMILESc1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2N(c2ccc(-c3ccc(-c4cccc5ccccc45)cc3)cc2)c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C62H41NS/c1-2-12-47(13-3-1)57-37-31-52(50-26-23-42-11-4-5-15-49(42)39-50)41-60(57)63(54-35-29-45(30-36-54)51-32-38-62-59(40-51)58-18-8-9-20-61(58)64-62)53-33-27-44(28-34-53)43-21-24-48(25-22-43)56-19-10-16-46-14-6-7-17-55(46)56/h1-41H
InChIKeyRSOLLDGDCWIPBN-UHFFFAOYSA-N
XLogP18.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.08
LogP ≤ 518.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-dibenzothiophen-2-ylphenyl)-5-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 167234029
N-(4-dibenzothiophen-2-ylphenyl)-5-naphthalen-1-yl-2-phenyl-N-(4-phenylphenyl)aniline
CID 167236356
N-(3-dibenzothiophen-2-ylphenyl)-5-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline
CID 167234295
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine
CID 167235827
N-(4-dibenzothiophen-2-ylphenyl)-5-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 167235077
N-(4-dibenzothiophen-2-ylphenyl)-5-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 167233880
5-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 167235721
N-(3-dibenzothiophen-4-ylphenyl)-5-naphthalen-2-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 167234902
N-(2-dibenzothiophen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 167324520
2-dibenzothiophen-2-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-phenylaniline
CID 167324864
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167326162
N-dibenzothiophen-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-3-amine
CID 167235674

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-5-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline?
The IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-5-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline (CID 167235358) is N-(4-dibenzothiophen-2-ylphenyl)-5-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline.
What is the SMILES notation for N-(4-dibenzothiophen-2-ylphenyl)-5-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline?
The canonical SMILES for N-(4-dibenzothiophen-2-ylphenyl)-5-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline is c1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2N(c2ccc(-c3ccc(-c4cccc5ccccc45)cc3)cc2)c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of N-(4-dibenzothiophen-2-ylphenyl)-5-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline?
The InChIKey is RSOLLDGDCWIPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41NS/c1-2-12-47(13-3-1)57-37-31-52(50-26-23-42-11-4-5-15-49(42)39-50)41-60(57)63(54-35-29-45(30-36-54)51-32-38-62-59(40-51)58-18-8-9-20-61(58)64-62)53-33-27-44(28-34-53)43-21-24-48(25-22-43)56-19-10-16-46-14-6-7-17-55(46)56/h1-41H.
What are the key properties of N-(4-dibenzothiophen-2-ylphenyl)-5-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline?
N-(4-dibenzothiophen-2-ylphenyl)-5-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline has a molecular weight of 832.08 g/mol, XLogP of 18.17, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-2-ylphenyl)-5-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline is sourced from PubChem (CID 167235358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).