N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzothiophen-1-amine

C50H33NS — CID 174256379

IUPACN-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
SMILESc1ccc(-c2cccc(N(c3ccc4ccc(-c5ccc(-c6ccc7ccccc7c6)cc5)cc4c3)c3cccc4sc5ccccc5c34)c2)cc1
InChIInChI=1S/C50H33NS/c1-2-10-34(11-3-1)40-14-8-15-44(32-40)51(47-17-9-19-49-50(47)46-16-6-7-18-48(46)52-49)45-29-28-38-25-27-42(31-43(38)33-45)37-22-20-36(21-23-37)41-26-24-35-12-4-5-13-39(35)30-41/h1-33H
InChIKeyOTYCGTGFMKRKTM-UHFFFAOYSA-N
MW679.89 g/mol
LogP14.83
Rot. Bonds6

About N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzothiophen-1-amine

N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzothiophen-1-amine (PubChem CID 174256379) has the molecular formula C50H33NS and a molecular weight of 679.89 g/mol. Its IUPAC name is N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
PubChem CID174256379
Molecular FormulaC50H33NS
Molecular Weight679.89 g/mol
Exact Mass679.23
IUPAC NameN-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
SMILESc1ccc(-c2cccc(N(c3ccc4ccc(-c5ccc(-c6ccc7ccccc7c6)cc5)cc4c3)c3cccc4sc5ccccc5c34)c2)cc1
InChIInChI=1S/C50H33NS/c1-2-10-34(11-3-1)40-14-8-15-44(32-40)51(47-17-9-19-49-50(47)46-16-6-7-18-48(46)52-49)45-29-28-38-25-27-42(31-43(38)33-45)37-22-20-36(21-23-37)41-26-24-35-12-4-5-13-39(35)30-41/h1-33H
InChIKeyOTYCGTGFMKRKTM-UHFFFAOYSA-N
XLogP14.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.89
LogP ≤ 514.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzothiophen-1-amine
CID 174255832
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167324059
N-dibenzothiophen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzothiophen-1-amine
CID 167324324
N-[3-[3-[dibenzothiophen-1-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-1-amine
CID 167086502
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
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 167325681
2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 163818280
N-dibenzothiophen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzothiophen-4-amine
CID 167323759
N-[2-[2-(N-dibenzothiophen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzothiol-11-amine
CID 167086931
N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-3-amine
CID 170037373
2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 163651994
N-naphthalen-1-yl-N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzothiophen-3-amine
CID 174256598

Frequently Asked Questions

What is the IUPAC name of N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzothiophen-1-amine?
The IUPAC name of N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzothiophen-1-amine (CID 174256379) is N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzothiophen-1-amine.
What is the SMILES notation for N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzothiophen-1-amine?
The canonical SMILES for N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzothiophen-1-amine is c1ccc(-c2cccc(N(c3ccc4ccc(-c5ccc(-c6ccc7ccccc7c6)cc5)cc4c3)c3cccc4sc5ccccc5c34)c2)cc1.
What is the InChIKey of N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzothiophen-1-amine?
The InChIKey is OTYCGTGFMKRKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NS/c1-2-10-34(11-3-1)40-14-8-15-44(32-40)51(47-17-9-19-49-50(47)46-16-6-7-18-48(46)52-49)45-29-28-38-25-27-42(31-43(38)33-45)37-22-20-36(21-23-37)41-26-24-35-12-4-5-13-39(35)30-41/h1-33H.
What are the key properties of N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzothiophen-1-amine?
N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzothiophen-1-amine has a molecular weight of 679.89 g/mol, XLogP of 14.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzothiophen-1-amine is sourced from PubChem (CID 174256379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).