2-dibenzothiophen-2-yl-N-[2-(2-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline

C58H39NS — CID 167326214

IUPAC2-dibenzothiophen-2-yl-N-[2-(2-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4-c4ccc5sc6ccccc6c5c4)c4ccccc4-c4ccccc4-c4ccc5ccccc5c4)cc3)cc2)cc1
InChIInChI=1S/C58H39NS/c1-2-14-40(15-3-1)42-26-28-43(29-27-42)44-32-35-48(36-33-44)59(55-23-11-8-19-50(55)47-34-37-58-54(39-47)53-22-10-13-25-57(53)60-58)56-24-12-9-21-52(56)51-20-7-6-18-49(51)46-31-30-41-16-4-5-17-45(41)38-46/h1-39H
InChIKeyHFWRKMQNVNIJSL-UHFFFAOYSA-N
MW782.02 g/mol
LogP17.01
Rot. Bonds8

About 2-dibenzothiophen-2-yl-N-[2-(2-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline

2-dibenzothiophen-2-yl-N-[2-(2-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 167326214) has the molecular formula C58H39NS and a molecular weight of 782.02 g/mol. Its IUPAC name is 2-dibenzothiophen-2-yl-N-[2-(2-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name2-dibenzothiophen-2-yl-N-[2-(2-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID167326214
Molecular FormulaC58H39NS
Molecular Weight782.02 g/mol
Exact Mass781.28
IUPAC Name2-dibenzothiophen-2-yl-N-[2-(2-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4-c4ccc5sc6ccccc6c5c4)c4ccccc4-c4ccccc4-c4ccc5ccccc5c4)cc3)cc2)cc1
InChIInChI=1S/C58H39NS/c1-2-14-40(15-3-1)42-26-28-43(29-27-42)44-32-35-48(36-33-44)59(55-23-11-8-19-50(55)47-34-37-58-54(39-47)53-22-10-13-25-57(53)60-58)56-24-12-9-21-52(56)51-20-7-6-18-49(51)46-31-30-41-16-4-5-17-45(41)38-46/h1-39H
InChIKeyHFWRKMQNVNIJSL-UHFFFAOYSA-N
XLogP17.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.02
LogP ≤ 517.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501643
N-(4-dibenzothiophen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 172501553
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167326162
N-(2-dibenzothiophen-2-ylphenyl)-4-[4-(N-(2-dibenzothiophen-2-ylphenyl)-4-naphthalen-2-ylanilino)-3-methylphenyl]-2-methyl-N-(4-naphthalen-2-ylphenyl)aniline
CID 121323358
2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 163651994
2-dibenzothiophen-2-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 167325263
N-(2-dibenzothiophen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 167324520
N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-2-phenylaniline
CID 170037218
N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
CID 168790075
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 167325892
N-(3-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-3-amine
CID 168766924
N-[4-(4-naphthalen-2-yldibenzothiophen-2-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 140919378

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-2-yl-N-[2-(2-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of 2-dibenzothiophen-2-yl-N-[2-(2-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline (CID 167326214) is 2-dibenzothiophen-2-yl-N-[2-(2-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 2-dibenzothiophen-2-yl-N-[2-(2-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for 2-dibenzothiophen-2-yl-N-[2-(2-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4-c4ccc5sc6ccccc6c5c4)c4ccccc4-c4ccccc4-c4ccc5ccccc5c4)cc3)cc2)cc1.
What is the InChIKey of 2-dibenzothiophen-2-yl-N-[2-(2-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is HFWRKMQNVNIJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NS/c1-2-14-40(15-3-1)42-26-28-43(29-27-42)44-32-35-48(36-33-44)59(55-23-11-8-19-50(55)47-34-37-58-54(39-47)53-22-10-13-25-57(53)60-58)56-24-12-9-21-52(56)51-20-7-6-18-49(51)46-31-30-41-16-4-5-17-45(41)38-46/h1-39H.
What are the key properties of 2-dibenzothiophen-2-yl-N-[2-(2-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
2-dibenzothiophen-2-yl-N-[2-(2-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 782.02 g/mol, XLogP of 17.01, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-2-yl-N-[2-(2-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 167326214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).