N-(4-naphthalen-2-ylphenyl)-N-phenyl-9-(4-phenylnaphthalen-1-yl)dibenzothiophen-2-amine

C50H33NS — CID 166055489

IUPACN-(4-naphthalen-2-ylphenyl)-N-phenyl-9-(4-phenylnaphthalen-1-yl)dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(-c3cccc4sc5ccc(N(c6ccccc6)c6ccc(-c7ccc8ccccc8c7)cc6)cc5c34)c3ccccc23)cc1
InChIInChI=1S/C50H33NS/c1-3-13-36(14-4-1)42-29-30-45(44-19-10-9-18-43(42)44)46-20-11-21-49-50(46)47-33-41(28-31-48(47)52-49)51(39-16-5-2-6-17-39)40-26-24-35(25-27-40)38-23-22-34-12-7-8-15-37(34)32-38/h1-33H
InChIKeyDBBYWXGAJVTBRU-UHFFFAOYSA-N
MW679.89 g/mol
LogP14.83
Rot. Bonds6

About N-(4-naphthalen-2-ylphenyl)-N-phenyl-9-(4-phenylnaphthalen-1-yl)dibenzothiophen-2-amine

N-(4-naphthalen-2-ylphenyl)-N-phenyl-9-(4-phenylnaphthalen-1-yl)dibenzothiophen-2-amine (PubChem CID 166055489) has the molecular formula C50H33NS and a molecular weight of 679.89 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-N-phenyl-9-(4-phenylnaphthalen-1-yl)dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-N-phenyl-9-(4-phenylnaphthalen-1-yl)dibenzothiophen-2-amine
PubChem CID166055489
Molecular FormulaC50H33NS
Molecular Weight679.89 g/mol
Exact Mass679.23
IUPAC NameN-(4-naphthalen-2-ylphenyl)-N-phenyl-9-(4-phenylnaphthalen-1-yl)dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(-c3cccc4sc5ccc(N(c6ccccc6)c6ccc(-c7ccc8ccccc8c7)cc6)cc5c34)c3ccccc23)cc1
InChIInChI=1S/C50H33NS/c1-3-13-36(14-4-1)42-29-30-45(44-19-10-9-18-43(42)44)46-20-11-21-49-50(46)47-33-41(28-31-48(47)52-49)51(39-16-5-2-6-17-39)40-26-24-35(25-27-40)38-23-22-34-12-7-8-15-37(34)32-38/h1-33H
InChIKeyDBBYWXGAJVTBRU-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-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)dibenzothiophen-2-amine
CID 176630528
3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzothiol-4-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170038025
9-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine
CID 166055432
9-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)dibenzothiophen-2-amine
CID 167680897
N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-9-(4-phenylphenyl)dibenzothiophen-2-amine
CID 166055525
N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-amine
CID 170038744
N-(3-dibenzothiophen-1-ylphenyl)-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767282
N-dibenzothiophen-1-yl-9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
CID 166055346
N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-9-(3-phenylphenyl)dibenzothiophen-2-amine
CID 166055460
3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170037052
2-dibenzothiophen-1-yl-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 167326060
N,N-bis(4-dibenzothiophen-2-ylphenyl)-3-naphthalen-2-ylaniline
CID 163723915

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-phenyl-9-(4-phenylnaphthalen-1-yl)dibenzothiophen-2-amine?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-phenyl-9-(4-phenylnaphthalen-1-yl)dibenzothiophen-2-amine (CID 166055489) is N-(4-naphthalen-2-ylphenyl)-N-phenyl-9-(4-phenylnaphthalen-1-yl)dibenzothiophen-2-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-N-phenyl-9-(4-phenylnaphthalen-1-yl)dibenzothiophen-2-amine?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-N-phenyl-9-(4-phenylnaphthalen-1-yl)dibenzothiophen-2-amine is c1ccc(-c2ccc(-c3cccc4sc5ccc(N(c6ccccc6)c6ccc(-c7ccc8ccccc8c7)cc6)cc5c34)c3ccccc23)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-N-phenyl-9-(4-phenylnaphthalen-1-yl)dibenzothiophen-2-amine?
The InChIKey is DBBYWXGAJVTBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NS/c1-3-13-36(14-4-1)42-29-30-45(44-19-10-9-18-43(42)44)46-20-11-21-49-50(46)47-33-41(28-31-48(47)52-49)51(39-16-5-2-6-17-39)40-26-24-35(25-27-40)38-23-22-34-12-7-8-15-37(34)32-38/h1-33H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-N-phenyl-9-(4-phenylnaphthalen-1-yl)dibenzothiophen-2-amine?
N-(4-naphthalen-2-ylphenyl)-N-phenyl-9-(4-phenylnaphthalen-1-yl)dibenzothiophen-2-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-(4-naphthalen-2-ylphenyl)-N-phenyl-9-(4-phenylnaphthalen-1-yl)dibenzothiophen-2-amine is sourced from PubChem (CID 166055489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).