N-naphthalen-2-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine

C46H31NS — CID 168788625

IUPACN-naphthalen-2-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccc3ccccc3c2)c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C46H31NS/c1-3-16-33(17-4-1)37-21-9-10-22-39(37)45-38(34-18-5-2-6-19-34)24-13-25-41(45)47(36-30-29-32-15-7-8-20-35(32)31-36)42-26-14-28-44-46(42)40-23-11-12-27-43(40)48-44/h1-31H
InChIKeyQAFOTSVTSIVFBN-UHFFFAOYSA-N
MW629.83 g/mol
LogP13.68
Rot. Bonds6

About N-naphthalen-2-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine

N-naphthalen-2-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine (PubChem CID 168788625) has the molecular formula C46H31NS and a molecular weight of 629.83 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
PubChem CID168788625
Molecular FormulaC46H31NS
Molecular Weight629.83 g/mol
Exact Mass629.22
IUPAC NameN-naphthalen-2-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccc3ccccc3c2)c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C46H31NS/c1-3-16-33(17-4-1)37-21-9-10-22-39(37)45-38(34-18-5-2-6-19-34)24-13-25-41(45)47(36-30-29-32-15-7-8-20-35(32)31-36)42-26-14-28-44-46(42)40-23-11-12-27-43(40)48-44/h1-31H
InChIKeyQAFOTSVTSIVFBN-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

N-(2-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 168791054
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 167325681
N-dibenzothiophen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzothiophen-1-amine
CID 167324324
N-(4-dibenzothiophen-1-ylphenyl)-N,3-diphenyl-2-(2-phenylphenyl)aniline
CID 168790141
N-(2-dibenzothiophen-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
CID 172501645
N,N-bis[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 164744357
N-[3-[3-(N-dibenzothiophen-1-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-1-amine
CID 167086970
N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 174256379
2-dibenzothiophen-1-yl-3-phenyl-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 170665716
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167324059
N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine
CID 168789618
N-naphthalen-2-yl-N-[4-(2-phenylquinolin-3-yl)phenyl]dibenzothiophen-1-amine
CID 170652892

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine?
The IUPAC name of N-naphthalen-2-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine (CID 168788625) is N-naphthalen-2-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine?
The canonical SMILES for N-naphthalen-2-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine is c1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccc3ccccc3c2)c2cccc3sc4ccccc4c23)cc1.
What is the InChIKey of N-naphthalen-2-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine?
The InChIKey is QAFOTSVTSIVFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31NS/c1-3-16-33(17-4-1)37-21-9-10-22-39(37)45-38(34-18-5-2-6-19-34)24-13-25-41(45)47(36-30-29-32-15-7-8-20-35(32)31-36)42-26-14-28-44-46(42)40-23-11-12-27-43(40)48-44/h1-31H.
What are the key properties of N-naphthalen-2-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine?
N-naphthalen-2-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine 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 N-naphthalen-2-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine is sourced from PubChem (CID 168788625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).