N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine

C46H29NS2 — CID 139363076

IUPACN-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2cccc3c(-c4ccc(N(c5cccc6c5sc5ccccc56)c5cccc6c5sc5ccccc56)cc4)cccc23)cc1
InChIInChI=1S/C46H29NS2/c1-2-12-30(13-3-1)33-16-8-19-36-34(17-9-18-35(33)36)31-26-28-32(29-27-31)47(41-22-10-20-39-37-14-4-6-24-43(37)48-45(39)41)42-23-11-21-40-38-15-5-7-25-44(38)49-46(40)42/h1-29H
InChIKeyIVSOYFOWUQLBOP-UHFFFAOYSA-N
MW659.88 g/mol
LogP14.38
Rot. Bonds5

About N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine

N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine (PubChem CID 139363076) has the molecular formula C46H29NS2 and a molecular weight of 659.88 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
PubChem CID139363076
Molecular FormulaC46H29NS2
Molecular Weight659.88 g/mol
Exact Mass659.17
IUPAC NameN-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2cccc3c(-c4ccc(N(c5cccc6c5sc5ccccc56)c5cccc6c5sc5ccccc56)cc4)cccc23)cc1
InChIInChI=1S/C46H29NS2/c1-2-12-30(13-3-1)33-16-8-19-36-34(17-9-18-35(33)36)31-26-28-32(29-27-31)47(41-22-10-20-39-37-14-4-6-24-43(37)48-45(39)41)42-23-11-21-40-38-15-5-7-25-44(38)49-46(40)42/h1-29H
InChIKeyIVSOYFOWUQLBOP-UHFFFAOYSA-N
XLogP14.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.88
LogP ≤ 514.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(N-dibenzothiophen-4-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 139322283
N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 90350977
N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine
CID 138718869
N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]dibenzothiophen-4-amine
CID 153299777
N-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 167396867
N-dibenzothiophen-4-yl-6-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 153434003
N-(4-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168790748
N-(4-phenylphenyl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 155122859
N-(4-phenylnaphthalen-1-yl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 154605730
N-[3-[2-(N-dibenzothiophen-4-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167086291
N-(3,4-diphenylphenyl)-N-[2-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 177080685
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine
CID 167397345

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine?
The IUPAC name of N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine (CID 139363076) is N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine is c1ccc(-c2cccc3c(-c4ccc(N(c5cccc6c5sc5ccccc56)c5cccc6c5sc5ccccc56)cc4)cccc23)cc1.
What is the InChIKey of N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine?
The InChIKey is IVSOYFOWUQLBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NS2/c1-2-12-30(13-3-1)33-16-8-19-36-34(17-9-18-35(33)36)31-26-28-32(29-27-31)47(41-22-10-20-39-37-14-4-6-24-43(37)48-45(39)41)42-23-11-21-40-38-15-5-7-25-44(38)49-46(40)42/h1-29H.
What are the key properties of N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine?
N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine has a molecular weight of 659.88 g/mol, XLogP of 14.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 139363076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).