N,N-diphenyl-9-(3-phenylquinoxalin-2-yl)dibenzothiophen-3-amine

C38H25N3S — CID 176818365

IUPACN,N-diphenyl-9-(3-phenylquinoxalin-2-yl)dibenzothiophen-3-amine
SMILESc1ccc(-c2nc3ccccc3nc2-c2cccc3sc4cc(N(c5ccccc5)c5ccccc5)ccc4c23)cc1
InChIInChI=1S/C38H25N3S/c1-4-13-26(14-5-1)37-38(40-33-21-11-10-20-32(33)39-37)31-19-12-22-34-36(31)30-24-23-29(25-35(30)42-34)41(27-15-6-2-7-16-27)28-17-8-3-9-18-28/h1-25H
InChIKeyJEBXYAXDELYSIK-UHFFFAOYSA-N
MW555.71 g/mol
LogP10.80
Rot. Bonds5

About N,N-diphenyl-9-(3-phenylquinoxalin-2-yl)dibenzothiophen-3-amine

N,N-diphenyl-9-(3-phenylquinoxalin-2-yl)dibenzothiophen-3-amine (PubChem CID 176818365) has the molecular formula C38H25N3S and a molecular weight of 555.71 g/mol. Its IUPAC name is N,N-diphenyl-9-(3-phenylquinoxalin-2-yl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN,N-diphenyl-9-(3-phenylquinoxalin-2-yl)dibenzothiophen-3-amine
PubChem CID176818365
Molecular FormulaC38H25N3S
Molecular Weight555.71 g/mol
Exact Mass555.18
IUPAC NameN,N-diphenyl-9-(3-phenylquinoxalin-2-yl)dibenzothiophen-3-amine
SMILESc1ccc(-c2nc3ccccc3nc2-c2cccc3sc4cc(N(c5ccccc5)c5ccccc5)ccc4c23)cc1
InChIInChI=1S/C38H25N3S/c1-4-13-26(14-5-1)37-38(40-33-21-11-10-20-32(33)39-37)31-19-12-22-34-36(31)30-24-23-29(25-35(30)42-34)41(27-15-6-2-7-16-27)28-17-8-3-9-18-28/h1-25H
InChIKeyJEBXYAXDELYSIK-UHFFFAOYSA-N
XLogP10.80
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.71
LogP ≤ 510.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-(4-phenylquinazolin-2-yl)dibenzothiophen-3-amine
CID 169281011
N,N-bis(4-phenylphenyl)-9-[2-(4-phenylquinazolin-2-yl)phenyl]dibenzothiophen-3-amine
CID 169280902
N-(3-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine
CID 167324291
N-[4-[3-(6-phenylnaphthalen-2-yl)quinolin-2-yl]phenyl]-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-9-amine
CID 170652888
N-phenyl-N-(4-phenylphenyl)-3-[9-(3-phenylquinoxalin-2-yl)dibenzofuran-3-yl]aniline
CID 176817789
N,3-diphenyl-N-[4-[4-[3-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]aniline
CID 59702508
3-dibenzothiophen-1-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767639
3-dibenzothiophen-1-yl-N-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170040977
N-naphthalen-1-yl-N-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-amine
CID 163844999
4-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-3-yl]-N,N-diphenylaniline
CID 169280921
N-phenyl-N-[4-[6-(N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzothiophen-3-amine
CID 166917554
6-N,6-N,20-N,20-N-tetraphenyl-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18(23),19,21-undecaene-6,20-diamine
CID 163713903

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-9-(3-phenylquinoxalin-2-yl)dibenzothiophen-3-amine?
The IUPAC name of N,N-diphenyl-9-(3-phenylquinoxalin-2-yl)dibenzothiophen-3-amine (CID 176818365) is N,N-diphenyl-9-(3-phenylquinoxalin-2-yl)dibenzothiophen-3-amine.
What is the SMILES notation for N,N-diphenyl-9-(3-phenylquinoxalin-2-yl)dibenzothiophen-3-amine?
The canonical SMILES for N,N-diphenyl-9-(3-phenylquinoxalin-2-yl)dibenzothiophen-3-amine is c1ccc(-c2nc3ccccc3nc2-c2cccc3sc4cc(N(c5ccccc5)c5ccccc5)ccc4c23)cc1.
What is the InChIKey of N,N-diphenyl-9-(3-phenylquinoxalin-2-yl)dibenzothiophen-3-amine?
The InChIKey is JEBXYAXDELYSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N3S/c1-4-13-26(14-5-1)37-38(40-33-21-11-10-20-32(33)39-37)31-19-12-22-34-36(31)30-24-23-29(25-35(30)42-34)41(27-15-6-2-7-16-27)28-17-8-3-9-18-28/h1-25H.
What are the key properties of N,N-diphenyl-9-(3-phenylquinoxalin-2-yl)dibenzothiophen-3-amine?
N,N-diphenyl-9-(3-phenylquinoxalin-2-yl)dibenzothiophen-3-amine has a molecular weight of 555.71 g/mol, XLogP of 10.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-9-(3-phenylquinoxalin-2-yl)dibenzothiophen-3-amine is sourced from PubChem (CID 176818365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).