N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine

C46H31NS — CID 167324190

IUPACN-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3cccc(-c4cccc5ccccc45)c3)c3cccc4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C46H31NS/c1-2-13-32(14-3-1)33-27-29-35(30-28-33)40-20-6-8-23-42(40)47(43-24-12-26-45-46(43)41-21-7-9-25-44(41)48-45)37-18-10-17-36(31-37)39-22-11-16-34-15-4-5-19-38(34)39/h1-31H
InChIKeyQCYREMHDQKBVID-UHFFFAOYSA-N
MW629.83 g/mol
LogP13.68
Rot. Bonds6

About N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine

N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine (PubChem CID 167324190) has the molecular formula C46H31NS and a molecular weight of 629.83 g/mol. Its IUPAC name is N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
PubChem CID167324190
Molecular FormulaC46H31NS
Molecular Weight629.83 g/mol
Exact Mass629.22
IUPAC NameN-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3cccc(-c4cccc5ccccc45)c3)c3cccc4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C46H31NS/c1-2-13-32(14-3-1)33-27-29-35(30-28-33)40-20-6-8-23-42(40)47(43-24-12-26-45-46(43)41-21-7-9-25-44(41)48-45)37-18-10-17-36(31-37)39-22-11-16-34-15-4-5-19-38(34)39/h1-31H
InChIKeyQCYREMHDQKBVID-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-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167235577
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
CID 167324838
N-[3-[3-(N-dibenzothiophen-1-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-1-amine
CID 167086970
N-[4-(5-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 154605549
N-[3-[2-(N-dibenzothiophen-1-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-1-amine
CID 167087062
N-(4-dibenzothiophen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502253
N-[2-(3-naphthalen-1-ylphenyl)phenyl]-N-triphenylen-2-yldibenzothiophen-1-amine
CID 168846152
N-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-1-amine
CID 167234172
N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 168766669
3-dibenzothiophen-1-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767639
N-(4-naphthalen-1-ylphenyl)-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine
CID 139363107
2-dibenzothiophen-3-yl-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 167325670

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine?
The IUPAC name of N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine (CID 167324190) is N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine.
What is the SMILES notation for N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine?
The canonical SMILES for N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine is c1ccc(-c2ccc(-c3ccccc3N(c3cccc(-c4cccc5ccccc45)c3)c3cccc4sc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine?
The InChIKey is QCYREMHDQKBVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31NS/c1-2-13-32(14-3-1)33-27-29-35(30-28-33)40-20-6-8-23-42(40)47(43-24-12-26-45-46(43)41-21-7-9-25-44(41)48-45)37-18-10-17-36(31-37)39-22-11-16-34-15-4-5-19-38(34)39/h1-31H.
What are the key properties of N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine?
N-(3-naphthalen-1-ylphenyl)-N-[2-(4-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-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine is sourced from PubChem (CID 167324190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).