N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-ethenylphenyl)aniline

C50H33NS2 — CID 58568905

IUPACN,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-ethenylphenyl)aniline
SMILESC=Cc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C50H33NS2/c1-2-33-17-19-34(20-18-33)35-21-27-38(28-22-35)51(39-29-23-36(24-30-39)41-11-7-13-45-43-9-3-5-15-47(43)52-49(41)45)40-31-25-37(26-32-40)42-12-8-14-46-44-10-4-6-16-48(44)53-50(42)46/h2-32H,1H2
InChIKeyAWVZLKQHVLVIKT-UHFFFAOYSA-N
MW711.96 g/mol
LogP15.54
Rot. Bonds7

About N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-ethenylphenyl)aniline

N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-ethenylphenyl)aniline (PubChem CID 58568905) has the molecular formula C50H33NS2 and a molecular weight of 711.96 g/mol. Its IUPAC name is N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-ethenylphenyl)aniline.

Molecular Properties

Compound NameN,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-ethenylphenyl)aniline
PubChem CID58568905
Molecular FormulaC50H33NS2
Molecular Weight711.96 g/mol
Exact Mass711.21
IUPAC NameN,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-ethenylphenyl)aniline
SMILESC=Cc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C50H33NS2/c1-2-33-17-19-34(20-18-33)35-21-27-38(28-22-35)51(39-29-23-36(24-30-39)41-11-7-13-45-43-9-3-5-15-47(43)52-49(41)45)40-31-25-37(26-32-40)42-12-8-14-46-44-10-4-6-16-48(44)53-50(42)46/h2-32H,1H2
InChIKeyAWVZLKQHVLVIKT-UHFFFAOYSA-N
XLogP15.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.96
LogP ≤ 515.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(4-ethenylphenyl)phenyl]aniline
CID 58568929
4-dibenzothiophen-4-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline
CID 59022060
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90263900
4-dibenzothiophen-4-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline;4-[4-[N-(4-dibenzothiophen-4-ylphenyl)-4-[4-[N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 158485457
4-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59022057
4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 59022081
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-(4-dibenzothiophen-4-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
CID 59022100
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)aniline
CID 147438936
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118405906
4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 118406193
3-N-(4-dibenzothiophen-4-ylphenyl)-1-N,1-N-diphenyl-3-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine
CID 146579378
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 121261293

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-ethenylphenyl)aniline?
The IUPAC name of N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-ethenylphenyl)aniline (CID 58568905) is N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-ethenylphenyl)aniline.
What is the SMILES notation for N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-ethenylphenyl)aniline?
The canonical SMILES for N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-ethenylphenyl)aniline is C=Cc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc2)cc1.
What is the InChIKey of N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-ethenylphenyl)aniline?
The InChIKey is AWVZLKQHVLVIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NS2/c1-2-33-17-19-34(20-18-33)35-21-27-38(28-22-35)51(39-29-23-36(24-30-39)41-11-7-13-45-43-9-3-5-15-47(43)52-49(41)45)40-31-25-37(26-32-40)42-12-8-14-46-44-10-4-6-16-48(44)53-50(42)46/h2-32H,1H2.
What are the key properties of N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-ethenylphenyl)aniline?
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-ethenylphenyl)aniline has a molecular weight of 711.96 g/mol, XLogP of 15.54, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-ethenylphenyl)aniline is sourced from PubChem (CID 58568905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).