N-(4-naphthalen-1-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-1-amine

C46H31NS — CID 167397344

IUPACN-(4-naphthalen-1-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc4sc5c(-c6ccccc6)cccc5c34)cc2)cc1
InChIInChI=1S/C46H31NS/c1-3-12-32(13-4-1)33-24-28-37(29-25-33)47(38-30-26-36(27-31-38)40-19-9-17-34-16-7-8-18-39(34)40)43-22-11-23-44-45(43)42-21-10-20-41(46(42)48-44)35-14-5-2-6-15-35/h1-31H
InChIKeyCATOGMOIGCGUKT-UHFFFAOYSA-N
MW629.83 g/mol
LogP13.68
Rot. Bonds6

About N-(4-naphthalen-1-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-1-amine

N-(4-naphthalen-1-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-1-amine (PubChem CID 167397344) has the molecular formula C46H31NS and a molecular weight of 629.83 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-1-amine
PubChem CID167397344
Molecular FormulaC46H31NS
Molecular Weight629.83 g/mol
Exact Mass629.22
IUPAC NameN-(4-naphthalen-1-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc4sc5c(-c6ccccc6)cccc5c34)cc2)cc1
InChIInChI=1S/C46H31NS/c1-3-12-32(13-4-1)33-24-28-37(29-25-33)47(38-30-26-36(27-31-38)40-19-9-17-34-16-7-8-18-39(34)40)43-22-11-23-44-45(43)42-21-10-20-41(46(42)48-44)35-14-5-2-6-15-35/h1-31H
InChIKeyCATOGMOIGCGUKT-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-(4-naphthalen-1-ylphenyl)-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine
CID 139363107
N,N-bis[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzothiol-7-amine
CID 170272338
N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
CID 168848106
N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-(3-naphthalen-1-ylphenyl)aniline
CID 168846205
N-(4-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167397362
N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-6-phenyldibenzothiophen-1-amine
CID 167397284
N-dibenzothiophen-4-yl-6-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 153434003
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 139355171
6-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 168781429
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-1-yl-4-phenylphenyl)phenyl]-2-phenylaniline
CID 164831984
N-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 167396867
N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline
CID 168767151

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-1-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-1-amine (CID 167397344) is N-(4-naphthalen-1-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-1-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-1-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc4sc5c(-c6ccccc6)cccc5c34)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-1-amine?
The InChIKey is CATOGMOIGCGUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31NS/c1-3-12-32(13-4-1)33-24-28-37(29-25-33)47(38-30-26-36(27-31-38)40-19-9-17-34-16-7-8-18-39(34)40)43-22-11-23-44-45(43)42-21-10-20-41(46(42)48-44)35-14-5-2-6-15-35/h1-31H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-1-amine?
N-(4-naphthalen-1-ylphenyl)-6-phenyl-N-(4-phenylphenyl)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-(4-naphthalen-1-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-1-amine is sourced from PubChem (CID 167397344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).