N,N-bis(4-dibenzothiophen-2-ylphenyl)-3-naphthalen-2-ylaniline

C52H33NS2 — CID 163723915

IUPACN,N-bis(4-dibenzothiophen-2-ylphenyl)-3-naphthalen-2-ylaniline
SMILESc1cc(-c2ccc3ccccc3c2)cc(N(c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)c1
InChIInChI=1S/C52H33NS2/c1-2-9-37-30-39(17-16-34(37)8-1)38-10-7-11-44(31-38)53(42-24-18-35(19-25-42)40-22-28-51-47(32-40)45-12-3-5-14-49(45)54-51)43-26-20-36(21-27-43)41-23-29-52-48(33-41)46-13-4-6-15-50(46)55-52/h1-33H
InChIKeyKTYXGAPLOBRHKK-UHFFFAOYSA-N
MW735.98 g/mol
LogP16.05
Rot. Bonds6

About N,N-bis(4-dibenzothiophen-2-ylphenyl)-3-naphthalen-2-ylaniline

N,N-bis(4-dibenzothiophen-2-ylphenyl)-3-naphthalen-2-ylaniline (PubChem CID 163723915) has the molecular formula C52H33NS2 and a molecular weight of 735.98 g/mol. Its IUPAC name is N,N-bis(4-dibenzothiophen-2-ylphenyl)-3-naphthalen-2-ylaniline.

Molecular Properties

Compound NameN,N-bis(4-dibenzothiophen-2-ylphenyl)-3-naphthalen-2-ylaniline
PubChem CID163723915
Molecular FormulaC52H33NS2
Molecular Weight735.98 g/mol
Exact Mass735.21
IUPAC NameN,N-bis(4-dibenzothiophen-2-ylphenyl)-3-naphthalen-2-ylaniline
SMILESc1cc(-c2ccc3ccccc3c2)cc(N(c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)c1
InChIInChI=1S/C52H33NS2/c1-2-9-37-30-39(17-16-34(37)8-1)38-10-7-11-44(31-38)53(42-24-18-35(19-25-42)40-22-28-51-47(32-40)45-12-3-5-14-49(45)54-51)43-26-20-36(21-27-43)41-23-29-52-48(33-41)46-13-4-6-15-50(46)55-52/h1-33H
InChIKeyKTYXGAPLOBRHKK-UHFFFAOYSA-N
XLogP16.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.98
LogP ≤ 516.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-2-amine
CID 166565819
N-(3-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
CID 168767046
N-(4-dibenzothiophen-2-ylphenyl)-3-phenanthren-3-yl-N-(3-phenanthren-3-ylphenyl)aniline
CID 168747408
N-(3,5-diphenylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-2-amine
CID 166566179
3-dibenzothiophen-3-yl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 168767536
3-N-(4-dibenzothiophen-2-ylphenyl)-3-N-naphthalen-2-yl-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118604927
N-(4-dibenzothiophen-3-ylphenyl)-3-(6-naphthalen-2-ylnaphthalen-2-yl)-N-phenylaniline
CID 174257627
3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170037052
N-naphthalen-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 118405870
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 121261333
N-naphthalen-2-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzothiophen-2-amine
CID 174256490
N-(4-benzo[c]phenanthren-2-ylphenyl)-3-dibenzothiophen-2-yl-N-phenylaniline
CID 167183579

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-dibenzothiophen-2-ylphenyl)-3-naphthalen-2-ylaniline?
The IUPAC name of N,N-bis(4-dibenzothiophen-2-ylphenyl)-3-naphthalen-2-ylaniline (CID 163723915) is N,N-bis(4-dibenzothiophen-2-ylphenyl)-3-naphthalen-2-ylaniline.
What is the SMILES notation for N,N-bis(4-dibenzothiophen-2-ylphenyl)-3-naphthalen-2-ylaniline?
The canonical SMILES for N,N-bis(4-dibenzothiophen-2-ylphenyl)-3-naphthalen-2-ylaniline is c1cc(-c2ccc3ccccc3c2)cc(N(c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)c1.
What is the InChIKey of N,N-bis(4-dibenzothiophen-2-ylphenyl)-3-naphthalen-2-ylaniline?
The InChIKey is KTYXGAPLOBRHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NS2/c1-2-9-37-30-39(17-16-34(37)8-1)38-10-7-11-44(31-38)53(42-24-18-35(19-25-42)40-22-28-51-47(32-40)45-12-3-5-14-49(45)54-51)43-26-20-36(21-27-43)41-23-29-52-48(33-41)46-13-4-6-15-50(46)55-52/h1-33H.
What are the key properties of N,N-bis(4-dibenzothiophen-2-ylphenyl)-3-naphthalen-2-ylaniline?
N,N-bis(4-dibenzothiophen-2-ylphenyl)-3-naphthalen-2-ylaniline has a molecular weight of 735.98 g/mol, XLogP of 16.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-dibenzothiophen-2-ylphenyl)-3-naphthalen-2-ylaniline is sourced from PubChem (CID 163723915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).