N-[3-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-4-amine

C34H23NS — CID 175616007

IUPACN-[3-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-4-amine
SMILESc1cc(Nc2cccc3c2sc2ccccc23)cc(-c2cccc(-c3ccc4ccccc4c3)c2)c1
InChIInChI=1S/C34H23NS/c1-2-9-24-20-28(19-18-23(24)8-1)26-11-5-10-25(21-26)27-12-6-13-29(22-27)35-32-16-7-15-31-30-14-3-4-17-33(30)36-34(31)32/h1-22,35H
InChIKeyNSRKKHQJPMFSCX-UHFFFAOYSA-N
MW477.63 g/mol
LogP10.29
Rot. Bonds4

About N-[3-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-4-amine

N-[3-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-4-amine (PubChem CID 175616007) has the molecular formula C34H23NS and a molecular weight of 477.63 g/mol. Its IUPAC name is N-[3-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-[3-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-4-amine
PubChem CID175616007
Molecular FormulaC34H23NS
Molecular Weight477.63 g/mol
Exact Mass477.16
IUPAC NameN-[3-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-4-amine
SMILESc1cc(Nc2cccc3c2sc2ccccc23)cc(-c2cccc(-c3ccc4ccccc4c3)c2)c1
InChIInChI=1S/C34H23NS/c1-2-9-24-20-28(19-18-23(24)8-1)26-11-5-10-25(21-26)27-12-6-13-29(22-27)35-32-16-7-15-31-30-14-3-4-17-33(30)36-34(31)32/h1-22,35H
InChIKeyNSRKKHQJPMFSCX-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

N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 177113837
N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 147227535
N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-ylaniline
CID 168766680
N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 177286416
5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzothiole
CID 122425735
N-(3,5-diphenylphenyl)dibenzothiophen-1-amine;N-(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N-(6-phenylnaphthalen-2-yl)dibenzothiophen-2-amine;N-(3-phenylphenyl)dibenzothiophen-2-amine
CID 158916839
2-[3-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-[3-[4-(N-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-4-naphthalen-2-ylanilino)phenyl]phenyl]aniline
CID 145313051
N-(7-phenylnaphthalen-2-yl)dibenzothiophen-1-amine
CID 168799176
2-N-(4-naphthalen-2-ylphenyl)-2-N-phenyl-6-N-(4-phenyldibenzothiophen-3-yl)naphthalene-2,6-diamine
CID 146360664
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 166566107
2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 177119517
2-dibenzothiophen-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 139441907

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-4-amine?
The IUPAC name of N-[3-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-4-amine (CID 175616007) is N-[3-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for N-[3-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for N-[3-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-4-amine is c1cc(Nc2cccc3c2sc2ccccc23)cc(-c2cccc(-c3ccc4ccccc4c3)c2)c1.
What is the InChIKey of N-[3-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-4-amine?
The InChIKey is NSRKKHQJPMFSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23NS/c1-2-9-24-20-28(19-18-23(24)8-1)26-11-5-10-25(21-26)27-12-6-13-29(22-27)35-32-16-7-15-31-30-14-3-4-17-33(30)36-34(31)32/h1-22,35H.
What are the key properties of N-[3-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-4-amine?
N-[3-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-4-amine 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-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 175616007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).