N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-ylaniline

C34H23NS — CID 168766680

IUPACN-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-ylaniline
SMILESc1cc(Nc2ccccc2-c2cccc3ccccc23)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C34H23NS/c1-2-14-26-23(10-1)11-8-18-28(26)29-15-3-5-20-32(29)35-25-13-7-12-24(22-25)27-17-9-19-31-30-16-4-6-21-33(30)36-34(27)31/h1-22,35H
InChIKeyJCBVURWYSIWALB-UHFFFAOYSA-N
MW477.63 g/mol
LogP10.29
Rot. Bonds4

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

N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-ylaniline (PubChem CID 168766680) has the molecular formula C34H23NS and a molecular weight of 477.63 g/mol. Its IUPAC name is N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-ylaniline.

Molecular Properties

Compound NameN-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-ylaniline
PubChem CID168766680
Molecular FormulaC34H23NS
Molecular Weight477.63 g/mol
Exact Mass477.16
IUPAC NameN-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-ylaniline
SMILESc1cc(Nc2ccccc2-c2cccc3ccccc23)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C34H23NS/c1-2-14-26-23(10-1)11-8-18-28(26)29-15-3-5-20-32(29)35-25-13-7-12-24(22-25)27-17-9-19-31-30-16-4-6-21-33(30)36-34(27)31/h1-22,35H
InChIKeyJCBVURWYSIWALB-UHFFFAOYSA-N
XLogP10.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.63
LogP ≤ 510.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 126709673
2-dibenzothiophen-2-yl-N-[3-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]aniline
CID 170181035
N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 147227535
N-[2-[2-(3-dibenzothiophen-4-ylphenyl)-4-phenylphenyl]phenyl]-9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine
CID 144827396
N-[3-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-4-amine
CID 175616007
N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 177069740
N-[4-[3-dibenzothiophen-4-yl-4-(naphthalen-1-ylamino)phenyl]-2-phenylphenyl]naphthalen-1-amine
CID 121343304
4-[3-(3-phenanthren-9-ylphenyl)phenyl]dibenzothiophene
CID 87423549
2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 139441954
2-dibenzothiophen-4-yl-4-(2-naphthalen-1-ylphenyl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 139442171
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
2-naphtho[1,2-b][1]benzothiol-10-yl-N-phenylaniline
CID 164934523

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-ylaniline?
The IUPAC name of N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-ylaniline (CID 168766680) is N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-ylaniline.
What is the SMILES notation for N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-ylaniline?
The canonical SMILES for N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-ylaniline is c1cc(Nc2ccccc2-c2cccc3ccccc23)cc(-c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-ylaniline?
The InChIKey is JCBVURWYSIWALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23NS/c1-2-14-26-23(10-1)11-8-18-28(26)29-15-3-5-20-32(29)35-25-13-7-12-24(22-25)27-17-9-19-31-30-16-4-6-21-33(30)36-34(27)31/h1-22,35H.
What are the key properties of N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-ylaniline?
N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-ylaniline has a molecular weight of 477.63 g/mol, XLogP of 10.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-ylaniline is sourced from PubChem (CID 168766680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).