N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)aniline

C50H33NS — CID 168767557

IUPACN-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)aniline
SMILESc1cc(-c2ccc3c(c2)sc2ccccc23)cc(N(c2cccc(-c3cccc4ccccc34)c2)c2ccccc2-c2ccc3ccccc3c2)c1
InChIInChI=1S/C50H33NS/c1-2-14-36-30-40(27-26-34(36)12-1)45-21-5-7-24-48(45)51(42-19-10-17-39(32-42)44-23-11-15-35-13-3-4-20-43(35)44)41-18-9-16-37(31-41)38-28-29-47-46-22-6-8-25-49(46)52-50(47)33-38/h1-33H
InChIKeyFMOCSDKWBNIBKU-UHFFFAOYSA-N
MW679.89 g/mol
LogP14.83
Rot. Bonds6

About N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)aniline

N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)aniline (PubChem CID 168767557) has the molecular formula C50H33NS and a molecular weight of 679.89 g/mol. Its IUPAC name is N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound NameN-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)aniline
PubChem CID168767557
Molecular FormulaC50H33NS
Molecular Weight679.89 g/mol
Exact Mass679.23
IUPAC NameN-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)aniline
SMILESc1cc(-c2ccc3c(c2)sc2ccccc23)cc(N(c2cccc(-c3cccc4ccccc34)c2)c2ccccc2-c2ccc3ccccc3c2)c1
InChIInChI=1S/C50H33NS/c1-2-14-36-30-40(27-26-34(36)12-1)45-21-5-7-24-48(45)51(42-19-10-17-39(32-42)44-23-11-15-35-13-3-4-20-43(35)44)41-18-9-16-37(31-41)38-28-29-47-46-22-6-8-25-49(46)52-50(47)33-38/h1-33H
InChIKeyFMOCSDKWBNIBKU-UHFFFAOYSA-N
XLogP14.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.89
LogP ≤ 514.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 167326431
N-(3-dibenzothiophen-3-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-2-ylaniline
CID 168766635
2-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 167326082
2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167326325
2-dibenzothiophen-3-yl-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)aniline
CID 168766751
2-dibenzothiophen-2-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 167325263
2-dibenzothiophen-3-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167326227
2-dibenzothiophen-3-yl-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 167325670
N-(3-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-3-amine
CID 168766924
N-(4-dibenzothiophen-3-ylphenyl)-2-(3-naphthalen-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
CID 168846088
2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline
CID 168767284
N-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-ylaniline
CID 168767680

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)aniline?
The IUPAC name of N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)aniline (CID 168767557) is N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)aniline is c1cc(-c2ccc3c(c2)sc2ccccc23)cc(N(c2cccc(-c3cccc4ccccc34)c2)c2ccccc2-c2ccc3ccccc3c2)c1.
What is the InChIKey of N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)aniline?
The InChIKey is FMOCSDKWBNIBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NS/c1-2-14-36-30-40(27-26-34(36)12-1)45-21-5-7-24-48(45)51(42-19-10-17-39(32-42)44-23-11-15-35-13-3-4-20-43(35)44)41-18-9-16-37(31-41)38-28-29-47-46-22-6-8-25-49(46)52-50(47)33-38/h1-33H.
What are the key properties of N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)aniline?
N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)aniline has a molecular weight of 679.89 g/mol, XLogP of 14.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 168767557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).