N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-9-(4-phenylphenyl)dibenzothiophen-3-amine

C52H35NS — CID 166055539

IUPACN-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-9-(4-phenylphenyl)dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(-c3cccc4sc5cc(N(c6ccc(-c7ccc8ccccc8c7)cc6)c6ccccc6-c6ccccc6)ccc5c34)cc2)cc1
InChIInChI=1S/C52H35NS/c1-3-12-36(13-4-1)38-22-25-41(26-23-38)47-19-11-21-50-52(47)48-33-32-45(35-51(48)54-50)53(49-20-10-9-18-46(49)40-15-5-2-6-16-40)44-30-28-39(29-31-44)43-27-24-37-14-7-8-17-42(37)34-43/h1-35H
InChIKeyJOEVBYLJSQSBJY-UHFFFAOYSA-N
MW705.93 g/mol
LogP15.35
Rot. Bonds7

About N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-9-(4-phenylphenyl)dibenzothiophen-3-amine

N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-9-(4-phenylphenyl)dibenzothiophen-3-amine (PubChem CID 166055539) has the molecular formula C52H35NS and a molecular weight of 705.93 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-9-(4-phenylphenyl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-9-(4-phenylphenyl)dibenzothiophen-3-amine
PubChem CID166055539
Molecular FormulaC52H35NS
Molecular Weight705.93 g/mol
Exact Mass705.25
IUPAC NameN-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-9-(4-phenylphenyl)dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(-c3cccc4sc5cc(N(c6ccc(-c7ccc8ccccc8c7)cc6)c6ccccc6-c6ccccc6)ccc5c34)cc2)cc1
InChIInChI=1S/C52H35NS/c1-3-12-36(13-4-1)38-22-25-41(26-23-38)47-19-11-21-50-52(47)48-33-32-45(35-51(48)54-50)53(49-20-10-9-18-46(49)40-15-5-2-6-16-40)44-30-28-39(29-31-44)43-27-24-37-14-7-8-17-42(37)34-43/h1-35H
InChIKeyJOEVBYLJSQSBJY-UHFFFAOYSA-N
XLogP15.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.93
LogP ≤ 515.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-9-(3-phenylphenyl)dibenzothiophen-2-amine
CID 166055460
N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-2-phenylaniline
CID 170037218
2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 163818280
N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-9-(4-phenylphenyl)dibenzothiophen-2-amine
CID 166055525
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-2-phenylaniline
CID 167182916
2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 167326431
N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N,2-bis(4-phenylphenyl)aniline
CID 170037663
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
2-dibenzothiophen-1-yl-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 167326060
2-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 167326082
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine
CID 167235827
N-[2-[3-(N-dibenzothiophen-3-yl-3-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-9-amine
CID 167086451

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-9-(4-phenylphenyl)dibenzothiophen-3-amine?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-9-(4-phenylphenyl)dibenzothiophen-3-amine (CID 166055539) is N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-9-(4-phenylphenyl)dibenzothiophen-3-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-9-(4-phenylphenyl)dibenzothiophen-3-amine?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-9-(4-phenylphenyl)dibenzothiophen-3-amine is c1ccc(-c2ccc(-c3cccc4sc5cc(N(c6ccc(-c7ccc8ccccc8c7)cc6)c6ccccc6-c6ccccc6)ccc5c34)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-9-(4-phenylphenyl)dibenzothiophen-3-amine?
The InChIKey is JOEVBYLJSQSBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NS/c1-3-12-36(13-4-1)38-22-25-41(26-23-38)47-19-11-21-50-52(47)48-33-32-45(35-51(48)54-50)53(49-20-10-9-18-46(49)40-15-5-2-6-16-40)44-30-28-39(29-31-44)43-27-24-37-14-7-8-17-42(37)34-43/h1-35H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-9-(4-phenylphenyl)dibenzothiophen-3-amine?
N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-9-(4-phenylphenyl)dibenzothiophen-3-amine has a molecular weight of 705.93 g/mol, XLogP of 15.35, 7 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-(2-phenylphenyl)-9-(4-phenylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 166055539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).