N-(2-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-1-amine

C40H27NS — CID 167325325

IUPACN-(2-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccccc2N(c2ccccc2-c2cccc3c2sc2ccccc23)c2cccc3ccccc23)cc1
InChIInChI=1S/C40H27NS/c1-2-14-28(15-3-1)30-19-6-9-24-36(30)41(37-26-12-17-29-16-4-5-18-31(29)37)38-25-10-7-20-32(38)34-22-13-23-35-33-21-8-11-27-39(33)42-40(34)35/h1-27H
InChIKeyZRCFMKMGBKZRCW-UHFFFAOYSA-N
MW553.73 g/mol
LogP12.01
Rot. Bonds5

About N-(2-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-1-amine

N-(2-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-1-amine (PubChem CID 167325325) has the molecular formula C40H27NS and a molecular weight of 553.73 g/mol. Its IUPAC name is N-(2-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-(2-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-1-amine
PubChem CID167325325
Molecular FormulaC40H27NS
Molecular Weight553.73 g/mol
Exact Mass553.19
IUPAC NameN-(2-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccccc2N(c2ccccc2-c2cccc3c2sc2ccccc23)c2cccc3ccccc23)cc1
InChIInChI=1S/C40H27NS/c1-2-14-28(15-3-1)30-19-6-9-24-36(30)41(37-26-12-17-29-16-4-5-18-31(29)37)38-25-10-7-20-32(38)34-22-13-23-35-33-21-8-11-27-39(33)42-40(34)35/h1-27H
InChIKeyZRCFMKMGBKZRCW-UHFFFAOYSA-N
XLogP12.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.73
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-1-amine
CID 167325431
N-(4-dibenzothiophen-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 172501487
N-(2-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167325795
N-(2-dibenzothiophen-4-ylphenyl)-5-naphthalen-1-yl-2-phenyl-N-(4-phenylphenyl)aniline
CID 167235510
N-(2-dibenzothiophen-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
CID 172501645
N-(2-dibenzothiophen-4-ylphenyl)-N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170294383
2-dibenzothiophen-4-yl-N-phenyl-N-(4-phenylphenyl)aniline
CID 129274012
5-tert-butyl-N-(2-dibenzothiophen-4-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170294602
N-(2-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501939
N-(2-dibenzothiophen-4-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]naphthalen-1-amine
CID 170302037
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172500791
N-dibenzothiophen-4-yl-1-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine
CID 171435004

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-1-amine?
The IUPAC name of N-(2-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-1-amine (CID 167325325) is N-(2-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-(2-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for N-(2-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-1-amine is c1ccc(-c2ccccc2N(c2ccccc2-c2cccc3c2sc2ccccc23)c2cccc3ccccc23)cc1.
What is the InChIKey of N-(2-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-1-amine?
The InChIKey is ZRCFMKMGBKZRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27NS/c1-2-14-28(15-3-1)30-19-6-9-24-36(30)41(37-26-12-17-29-16-4-5-18-31(29)37)38-25-10-7-20-32(38)34-22-13-23-35-33-21-8-11-27-39(33)42-40(34)35/h1-27H.
What are the key properties of N-(2-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-1-amine?
N-(2-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-1-amine has a molecular weight of 553.73 g/mol, XLogP of 12.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 167325325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).