N-(3-dibenzothiophen-1-ylphenyl)-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline

C50H33NS — CID 168767282

IUPACN-(3-dibenzothiophen-1-ylphenyl)-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
SMILESc1cc(-c2ccc3ccccc3c2)cc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cccc(-c3cccc4sc5ccccc5c34)c2)c1
InChIInChI=1S/C50H33NS/c1-2-13-37-31-39(26-25-34(37)11-1)38-15-7-17-42(32-38)51(41-29-27-36(28-30-41)45-21-9-14-35-12-3-4-19-44(35)45)43-18-8-16-40(33-43)46-22-10-24-49-50(46)47-20-5-6-23-48(47)52-49/h1-33H
InChIKeyZBFVVFSCVBZRJF-UHFFFAOYSA-N
MW679.89 g/mol
LogP14.83
Rot. Bonds6

About N-(3-dibenzothiophen-1-ylphenyl)-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline

N-(3-dibenzothiophen-1-ylphenyl)-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline (PubChem CID 168767282) has the molecular formula C50H33NS and a molecular weight of 679.89 g/mol. Its IUPAC name is N-(3-dibenzothiophen-1-ylphenyl)-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound NameN-(3-dibenzothiophen-1-ylphenyl)-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
PubChem CID168767282
Molecular FormulaC50H33NS
Molecular Weight679.89 g/mol
Exact Mass679.23
IUPAC NameN-(3-dibenzothiophen-1-ylphenyl)-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
SMILESc1cc(-c2ccc3ccccc3c2)cc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cccc(-c3cccc4sc5ccccc5c34)c2)c1
InChIInChI=1S/C50H33NS/c1-2-13-37-31-39(26-25-34(37)11-1)38-15-7-17-42(32-38)51(41-29-27-36(28-30-41)45-21-9-14-35-12-3-4-19-44(35)45)43-18-8-16-40(33-43)46-22-10-24-49-50(46)47-20-5-6-23-48(47)52-49/h1-33H
InChIKeyZBFVVFSCVBZRJF-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

3-dibenzothiophen-1-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767639
2-dibenzothiophen-1-yl-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 167326060
N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)dibenzothiophen-2-amine
CID 176630528
3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzothiol-4-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170038025
9-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)dibenzothiophen-2-amine
CID 167680897
N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)aniline;N-(4-naphthalen-1-ylphenyl)-3-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)-N-(4-phenylphenyl)aniline;3-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 165102502
2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 163818280
6-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-[3-[3-[N-naphthalen-1-yl-3-(4-phenylphenyl)anilino]phenyl]phenyl]naphthalen-2-amine
CID 167086761
N-(4-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167330248
3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170037052
3-dibenzothiophen-2-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767039
N-(4-dibenzothiophen-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)phenanthren-9-amine
CID 167324405

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-1-ylphenyl)-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline?
The IUPAC name of N-(3-dibenzothiophen-1-ylphenyl)-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline (CID 168767282) is N-(3-dibenzothiophen-1-ylphenyl)-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for N-(3-dibenzothiophen-1-ylphenyl)-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for N-(3-dibenzothiophen-1-ylphenyl)-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline is c1cc(-c2ccc3ccccc3c2)cc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cccc(-c3cccc4sc5ccccc5c34)c2)c1.
What is the InChIKey of N-(3-dibenzothiophen-1-ylphenyl)-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline?
The InChIKey is ZBFVVFSCVBZRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NS/c1-2-13-37-31-39(26-25-34(37)11-1)38-15-7-17-42(32-38)51(41-29-27-36(28-30-41)45-21-9-14-35-12-3-4-19-44(35)45)43-18-8-16-40(33-43)46-22-10-24-49-50(46)47-20-5-6-23-48(47)52-49/h1-33H.
What are the key properties of N-(3-dibenzothiophen-1-ylphenyl)-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline?
N-(3-dibenzothiophen-1-ylphenyl)-3-naphthalen-2-yl-N-(4-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-1-ylphenyl)-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 168767282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).