N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline

C54H35NS2 — CID 90350992

IUPACN,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)cc2)cc1
InChIInChI=1S/C54H35NS2/c1-2-8-36(9-3-1)37-14-16-38(17-15-37)39-18-26-44(27-19-39)55(45-28-20-40(21-29-45)42-24-32-53-49(34-42)47-10-4-6-12-51(47)56-53)46-30-22-41(23-31-46)43-25-33-54-50(35-43)48-11-5-7-13-52(48)57-54/h1-35H
InChIKeyGXBQHLUONHQAQP-UHFFFAOYSA-N
MW762.02 g/mol
LogP16.56
Rot. Bonds7

About N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline

N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline (PubChem CID 90350992) has the molecular formula C54H35NS2 and a molecular weight of 762.02 g/mol. Its IUPAC name is N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
PubChem CID90350992
Molecular FormulaC54H35NS2
Molecular Weight762.02 g/mol
Exact Mass761.22
IUPAC NameN,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)cc2)cc1
InChIInChI=1S/C54H35NS2/c1-2-8-36(9-3-1)37-14-16-38(17-15-37)39-18-26-44(27-19-39)55(45-28-20-40(21-29-45)42-24-32-53-49(34-42)47-10-4-6-12-51(47)56-53)46-30-22-41(23-31-46)43-25-33-54-50(35-43)48-11-5-7-13-52(48)57-54/h1-35H
InChIKeyGXBQHLUONHQAQP-UHFFFAOYSA-N
XLogP16.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.02
LogP ≤ 516.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118640902
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261318
N,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 139552059
N-[4-[3,5-di(dibenzothiophen-2-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 121383196
4-[3,5-di(dibenzothiophen-2-yl)phenyl]-N,N-diphenylaniline
CID 121383193
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90350979
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 121261333
4-dibenzothiophen-2-yl-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline
CID 123941148
N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
CID 157402984
N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-triphenylen-2-ylaniline
CID 118214585
8-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90076252
N,4-diphenyl-N-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]aniline
CID 121296540

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline?
The IUPAC name of N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline (CID 90350992) is N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline.
What is the SMILES notation for N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline?
The canonical SMILES for N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)cc2)cc1.
What is the InChIKey of N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline?
The InChIKey is GXBQHLUONHQAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NS2/c1-2-8-36(9-3-1)37-14-16-38(17-15-37)39-18-26-44(27-19-39)55(45-28-20-40(21-29-45)42-24-32-53-49(34-42)47-10-4-6-12-51(47)56-53)46-30-22-41(23-31-46)43-25-33-54-50(35-43)48-11-5-7-13-52(48)57-54/h1-35H.
What are the key properties of N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline?
N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline has a molecular weight of 762.02 g/mol, XLogP of 16.56, 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-2-ylphenyl)-4-(4-phenylphenyl)aniline is sourced from PubChem (CID 90350992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).