N-(2,6-diphenylphenyl)-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-amine

C46H31NS — CID 177128358

IUPACN-(2,6-diphenylphenyl)-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
SMILESc1ccc(-c2cc3ccccc3cc2N(c2ccc3c(c2)sc2ccccc23)c2c(-c3ccccc3)cccc2-c2ccccc2)cc1
InChIInChI=1S/C46H31NS/c1-4-15-32(16-5-1)38-24-14-25-39(33-17-6-2-7-18-33)46(38)47(37-27-28-41-40-23-12-13-26-44(40)48-45(41)31-37)43-30-36-22-11-10-21-35(36)29-42(43)34-19-8-3-9-20-34/h1-31H
InChIKeySVIJZQWUWMKRDS-UHFFFAOYSA-N
MW629.83 g/mol
LogP13.68
Rot. Bonds6

About N-(2,6-diphenylphenyl)-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-amine

N-(2,6-diphenylphenyl)-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-amine (PubChem CID 177128358) has the molecular formula C46H31NS and a molecular weight of 629.83 g/mol. Its IUPAC name is N-(2,6-diphenylphenyl)-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(2,6-diphenylphenyl)-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
PubChem CID177128358
Molecular FormulaC46H31NS
Molecular Weight629.83 g/mol
Exact Mass629.22
IUPAC NameN-(2,6-diphenylphenyl)-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
SMILESc1ccc(-c2cc3ccccc3cc2N(c2ccc3c(c2)sc2ccccc23)c2c(-c3ccccc3)cccc2-c2ccccc2)cc1
InChIInChI=1S/C46H31NS/c1-4-15-32(16-5-1)38-24-14-25-39(33-17-6-2-7-18-33)46(38)47(37-27-28-41-40-23-12-13-26-44(40)48-45(41)31-37)43-30-36-22-11-10-21-35(36)29-42(43)34-19-8-3-9-20-34/h1-31H
InChIKeySVIJZQWUWMKRDS-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

2-N,7-N-di(dibenzothiophen-3-yl)-2-N,7-N-dinaphthalen-1-yl-3,6-diphenylnaphthalene-2,7-diamine
CID 158092286
N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 177098532
N-dibenzothiophen-3-yl-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine
CID 167235005
7-N-dibenzothiophen-3-yl-7-N-[3-(N-naphthalen-2-ylanilino)phenyl]-2-N-phenyl-2-N-(2-phenylphenyl)dibenzothiophene-2,7-diamine
CID 131979897
2-N,7-N-di(dibenzothiophen-3-yl)-2-N,7-N,3,5-tetraphenylnaphthalene-2,7-diamine
CID 158058609
N-(5-phenanthren-9-yl-2-phenylphenyl)-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 167235897
N-dibenzothiophen-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-3-amine
CID 167235674
N-phenyl-N-[4-[6-(N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzothiophen-3-amine
CID 166917554
N-(3-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine
CID 167324291
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 139355163
N-(3-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine
CID 172502469
N-phenyl-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-4-amine
CID 155133247

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diphenylphenyl)-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-amine?
The IUPAC name of N-(2,6-diphenylphenyl)-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-amine (CID 177128358) is N-(2,6-diphenylphenyl)-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-amine.
What is the SMILES notation for N-(2,6-diphenylphenyl)-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-amine?
The canonical SMILES for N-(2,6-diphenylphenyl)-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-amine is c1ccc(-c2cc3ccccc3cc2N(c2ccc3c(c2)sc2ccccc23)c2c(-c3ccccc3)cccc2-c2ccccc2)cc1.
What is the InChIKey of N-(2,6-diphenylphenyl)-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-amine?
The InChIKey is SVIJZQWUWMKRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31NS/c1-4-15-32(16-5-1)38-24-14-25-39(33-17-6-2-7-18-33)46(38)47(37-27-28-41-40-23-12-13-26-44(40)48-45(41)31-37)43-30-36-22-11-10-21-35(36)29-42(43)34-19-8-3-9-20-34/h1-31H.
What are the key properties of N-(2,6-diphenylphenyl)-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-amine?
N-(2,6-diphenylphenyl)-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-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-(2,6-diphenylphenyl)-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-amine is sourced from PubChem (CID 177128358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).