4-(2,3-dinaphthalen-2-yl-1-benzothiophen-6-yl)-N,N-diphenylaniline

C46H31NS — CID 118459294

IUPAC4-(2,3-dinaphthalen-2-yl-1-benzothiophen-6-yl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c(-c5ccc6ccccc6c5)sc4c3)cc2)cc1
InChIInChI=1S/C46H31NS/c1-3-15-40(16-4-1)47(41-17-5-2-6-18-41)42-26-23-34(24-27-42)37-25-28-43-44(31-37)48-46(39-22-20-33-12-8-10-14-36(33)30-39)45(43)38-21-19-32-11-7-9-13-35(32)29-38/h1-31H
InChIKeyFVTIXLSLWROWKO-UHFFFAOYSA-N
MW629.83 g/mol
LogP13.68
Rot. Bonds6

About 4-(2,3-dinaphthalen-2-yl-1-benzothiophen-6-yl)-N,N-diphenylaniline

4-(2,3-dinaphthalen-2-yl-1-benzothiophen-6-yl)-N,N-diphenylaniline (PubChem CID 118459294) has the molecular formula C46H31NS and a molecular weight of 629.83 g/mol. Its IUPAC name is 4-(2,3-dinaphthalen-2-yl-1-benzothiophen-6-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(2,3-dinaphthalen-2-yl-1-benzothiophen-6-yl)-N,N-diphenylaniline
PubChem CID118459294
Molecular FormulaC46H31NS
Molecular Weight629.83 g/mol
Exact Mass629.22
IUPAC Name4-(2,3-dinaphthalen-2-yl-1-benzothiophen-6-yl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c(-c5ccc6ccccc6c5)sc4c3)cc2)cc1
InChIInChI=1S/C46H31NS/c1-3-15-40(16-4-1)47(41-17-5-2-6-18-41)42-26-23-34(24-27-42)37-25-28-43-44(31-37)48-46(39-22-20-33-12-8-10-14-36(33)30-39)45(43)38-21-19-32-11-7-9-13-35(32)29-38/h1-31H
InChIKeyFVTIXLSLWROWKO-UHFFFAOYSA-N
XLogP13.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.83
LogP ≤ 513.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-dibenzothiophen-3-yl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 168767536
N-(4-dibenzothiophen-3-ylphenyl)-3-(6-naphthalen-2-ylnaphthalen-2-yl)-N-phenylaniline
CID 174257627
N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 118640861
N-(3-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
CID 168767046
9-naphthalen-2-yl-2-N,6-N-diphenyl-2-N,6-N,10-tris(3-phenylphenyl)anthracene-2,6-diamine
CID 59766227
N-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-N-phenylnaphthalen-2-amine
CID 170038826
4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline;9,10-dinaphthalen-2-yl-2,6-bis(10-naphthalen-2-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2,6-bis(10-phenylanthracen-9-yl)anthracene
CID 159179813
9-[4-[6-[10-naphthalen-2-yl-2,6-bis(N-phenylanilino)anthracen-9-yl]naphthalen-2-yl]phenyl]-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6-diamine
CID 134490814
N,4-diphenyl-N-[4-(7-phenyldibenzothiophen-3-yl)phenyl]aniline
CID 118186820
3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 167236634
N-(4-dibenzothiophen-3-ylphenyl)-3-naphthalen-2-yl-N-(3-phenanthren-9-ylphenyl)aniline
CID 166566706
N-[4-(2,3-dinaphthalen-1-yl-1-benzothiophen-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118459286

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dinaphthalen-2-yl-1-benzothiophen-6-yl)-N,N-diphenylaniline?
The IUPAC name of 4-(2,3-dinaphthalen-2-yl-1-benzothiophen-6-yl)-N,N-diphenylaniline (CID 118459294) is 4-(2,3-dinaphthalen-2-yl-1-benzothiophen-6-yl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(2,3-dinaphthalen-2-yl-1-benzothiophen-6-yl)-N,N-diphenylaniline?
The canonical SMILES for 4-(2,3-dinaphthalen-2-yl-1-benzothiophen-6-yl)-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c(-c5ccc6ccccc6c5)sc4c3)cc2)cc1.
What is the InChIKey of 4-(2,3-dinaphthalen-2-yl-1-benzothiophen-6-yl)-N,N-diphenylaniline?
The InChIKey is FVTIXLSLWROWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31NS/c1-3-15-40(16-4-1)47(41-17-5-2-6-18-41)42-26-23-34(24-27-42)37-25-28-43-44(31-37)48-46(39-22-20-33-12-8-10-14-36(33)30-39)45(43)38-21-19-32-11-7-9-13-35(32)29-38/h1-31H.
What are the key properties of 4-(2,3-dinaphthalen-2-yl-1-benzothiophen-6-yl)-N,N-diphenylaniline?
4-(2,3-dinaphthalen-2-yl-1-benzothiophen-6-yl)-N,N-diphenylaniline has a molecular weight of 629.83 g/mol, XLogP of 13.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dinaphthalen-2-yl-1-benzothiophen-6-yl)-N,N-diphenylaniline is sourced from PubChem (CID 118459294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).