N-phenyl-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-4-amine

C34H23NS — CID 155133247

IUPACN-phenyl-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-4-amine
SMILESc1ccc(-c2cc3ccccc3cc2N(c2ccccc2)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C34H23NS/c1-3-12-24(13-4-1)30-22-25-14-7-8-15-26(25)23-32(30)35(27-16-5-2-6-17-27)31-20-11-19-29-28-18-9-10-21-33(28)36-34(29)31/h1-23H
InChIKeyVVRDDJACRUKQDD-UHFFFAOYSA-N
MW477.63 g/mol
LogP10.34
Rot. Bonds4

About N-phenyl-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-4-amine

N-phenyl-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-4-amine (PubChem CID 155133247) has the molecular formula C34H23NS and a molecular weight of 477.63 g/mol. Its IUPAC name is N-phenyl-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-phenyl-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-4-amine
PubChem CID155133247
Molecular FormulaC34H23NS
Molecular Weight477.63 g/mol
Exact Mass477.16
IUPAC NameN-phenyl-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-4-amine
SMILESc1ccc(-c2cc3ccccc3cc2N(c2ccccc2)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C34H23NS/c1-3-12-24(13-4-1)30-22-25-14-7-8-15-26(25)23-32(30)35(27-16-5-2-6-17-27)31-20-11-19-29-28-18-9-10-21-33(28)36-34(29)31/h1-23H
InChIKeyVVRDDJACRUKQDD-UHFFFAOYSA-N
XLogP10.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.63
LogP ≤ 510.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-dibenzothiophen-4-yl-3-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 170675645
N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 139363076
N-(4-phenylphenyl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 155122859
N-(4-phenylnaphthalen-1-yl)-N-[4-(3-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine;N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine;N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine;N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 158866237
N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 90350977
N-(4-phenylnaphthalen-1-yl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 154605730
N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 172500806
N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine
CID 138718869
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-4-amine
CID 167235379
N-[2-(2-phenylphenyl)phenyl]-N-[3-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 164744415
N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]dibenzothiophen-4-amine
CID 153299777
2-N'-dibenzothiophen-4-yl-2-N,2-N,2-N',3,3'-pentakis-phenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791741

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-4-amine?
The IUPAC name of N-phenyl-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-4-amine (CID 155133247) is N-phenyl-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-4-amine.
What is the SMILES notation for N-phenyl-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-4-amine?
The canonical SMILES for N-phenyl-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-4-amine is c1ccc(-c2cc3ccccc3cc2N(c2ccccc2)c2cccc3c2sc2ccccc23)cc1.
What is the InChIKey of N-phenyl-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-4-amine?
The InChIKey is VVRDDJACRUKQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23NS/c1-3-12-24(13-4-1)30-22-25-14-7-8-15-26(25)23-32(30)35(27-16-5-2-6-17-27)31-20-11-19-29-28-18-9-10-21-33(28)36-34(29)31/h1-23H.
What are the key properties of N-phenyl-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-4-amine?
N-phenyl-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-4-amine has a molecular weight of 477.63 g/mol, XLogP of 10.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-4-amine is sourced from PubChem (CID 155133247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).