5-dibenzothiophen-1-yl-3-N-naphthalen-1-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine

C46H32N2S — CID 134337286

IUPAC5-dibenzothiophen-1-yl-3-N-naphthalen-1-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
SMILESc1ccc(N(c2ccccc2)c2cc(-c3cccc4sc5ccccc5c34)cc(N(c3ccccc3)c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C46H32N2S/c1-4-18-35(19-5-1)47(36-20-6-2-7-21-36)38-30-34(41-26-15-29-45-46(41)42-25-12-13-28-44(42)49-45)31-39(32-38)48(37-22-8-3-9-23-37)43-27-14-17-33-16-10-11-24-40(33)43/h1-32H
InChIKeySPZIEKLAXYQQQV-UHFFFAOYSA-N
MW644.84 g/mol
LogP13.81
Rot. Bonds7

About 5-dibenzothiophen-1-yl-3-N-naphthalen-1-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine

5-dibenzothiophen-1-yl-3-N-naphthalen-1-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine (PubChem CID 134337286) has the molecular formula C46H32N2S and a molecular weight of 644.84 g/mol. Its IUPAC name is 5-dibenzothiophen-1-yl-3-N-naphthalen-1-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine.

Molecular Properties

Compound Name5-dibenzothiophen-1-yl-3-N-naphthalen-1-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
PubChem CID134337286
Molecular FormulaC46H32N2S
Molecular Weight644.84 g/mol
Exact Mass644.23
IUPAC Name5-dibenzothiophen-1-yl-3-N-naphthalen-1-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
SMILESc1ccc(N(c2ccccc2)c2cc(-c3cccc4sc5ccccc5c34)cc(N(c3ccccc3)c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C46H32N2S/c1-4-18-35(19-5-1)47(36-20-6-2-7-21-36)38-30-34(41-26-15-29-45-46(41)42-25-12-13-28-44(42)49-45)31-39(32-38)48(37-22-8-3-9-23-37)43-27-14-17-33-16-10-11-24-40(33)43/h1-32H
InChIKeySPZIEKLAXYQQQV-UHFFFAOYSA-N
XLogP13.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.84
LogP ≤ 513.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
6-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-[3-[3-[N-naphthalen-1-yl-3-(4-phenylphenyl)anilino]phenyl]phenyl]naphthalen-2-amine
CID 167086761
5-(4-dibenzothiophen-1-ylphenyl)-3-N-(3,5-diphenylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 122551978
N-(4-dibenzothiophen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502253
4-N-(3-dibenzothiophen-4-ylphenyl)-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine
CID 121323913
4-[9-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzothiophen-3-yl]-N,N-diphenylnaphthalen-1-amine
CID 177116926
N-(4-naphthalen-1-ylphenyl)-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine
CID 139363107
2-[2-(N-(4-dibenzothiophen-1-ylphenyl)anilino)phenyl]-N,N-diphenylaniline
CID 167087126
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)naphthalen-1-amine
CID 170676842
3-N-naphthalen-1-yl-5-[4-(N-naphthalen-1-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 69120813
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 147348264

Frequently Asked Questions

What is the IUPAC name of 5-dibenzothiophen-1-yl-3-N-naphthalen-1-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine?
The IUPAC name of 5-dibenzothiophen-1-yl-3-N-naphthalen-1-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine (CID 134337286) is 5-dibenzothiophen-1-yl-3-N-naphthalen-1-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine.
What is the SMILES notation for 5-dibenzothiophen-1-yl-3-N-naphthalen-1-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine?
The canonical SMILES for 5-dibenzothiophen-1-yl-3-N-naphthalen-1-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine is c1ccc(N(c2ccccc2)c2cc(-c3cccc4sc5ccccc5c34)cc(N(c3ccccc3)c3cccc4ccccc34)c2)cc1.
What is the InChIKey of 5-dibenzothiophen-1-yl-3-N-naphthalen-1-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine?
The InChIKey is SPZIEKLAXYQQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2S/c1-4-18-35(19-5-1)47(36-20-6-2-7-21-36)38-30-34(41-26-15-29-45-46(41)42-25-12-13-28-44(42)49-45)31-39(32-38)48(37-22-8-3-9-23-37)43-27-14-17-33-16-10-11-24-40(33)43/h1-32H.
What are the key properties of 5-dibenzothiophen-1-yl-3-N-naphthalen-1-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine?
5-dibenzothiophen-1-yl-3-N-naphthalen-1-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine has a molecular weight of 644.84 g/mol, XLogP of 13.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dibenzothiophen-1-yl-3-N-naphthalen-1-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine is sourced from PubChem (CID 134337286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).