2-dibenzothiophen-3-yl-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline

C52H35NS — CID 167325670

IUPAC2-dibenzothiophen-3-yl-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccc(-c5cccc6ccccc56)cc4)c3)c3ccccc3-c3ccc4c(c3)sc3ccccc34)cc2)cc1
InChIInChI=1S/C52H35NS/c1-2-12-36(13-3-1)37-28-31-43(32-29-37)53(50-22-8-6-19-47(50)42-30-33-49-48-20-7-9-23-51(48)54-52(49)35-42)44-17-10-16-41(34-44)38-24-26-40(27-25-38)46-21-11-15-39-14-4-5-18-45(39)46/h1-35H
InChIKeyHCYNELQYOGBATD-UHFFFAOYSA-N
MW705.93 g/mol
LogP15.35
Rot. Bonds7

About 2-dibenzothiophen-3-yl-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline

2-dibenzothiophen-3-yl-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 167325670) has the molecular formula C52H35NS and a molecular weight of 705.93 g/mol. Its IUPAC name is 2-dibenzothiophen-3-yl-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-dibenzothiophen-3-yl-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
PubChem CID167325670
Molecular FormulaC52H35NS
Molecular Weight705.93 g/mol
Exact Mass705.25
IUPAC Name2-dibenzothiophen-3-yl-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccc(-c5cccc6ccccc56)cc4)c3)c3ccccc3-c3ccc4c(c3)sc3ccccc34)cc2)cc1
InChIInChI=1S/C52H35NS/c1-2-12-36(13-3-1)37-28-31-43(32-29-37)53(50-22-8-6-19-47(50)42-30-33-49-48-20-7-9-23-51(48)54-52(49)35-42)44-17-10-16-41(34-44)38-24-26-40(27-25-38)46-21-11-15-39-14-4-5-18-45(39)46/h1-35H
InChIKeyHCYNELQYOGBATD-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

Analyze 2-dibenzothiophen-3-yl-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-(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

2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167326325
2-dibenzothiophen-3-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167326227
2-dibenzothiophen-3-yl-N-[3-(2-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167326186
N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 168766637
2-dibenzothiophen-2-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167324684
2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline
CID 168767284
N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 168767557
2-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 167326082
2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 163594964
2-dibenzothiophen-4-yl-N-(3-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767231
N-(4-dibenzothiophen-3-ylphenyl)-2-(3-naphthalen-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
CID 168846088
2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 167326431

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-3-yl-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 2-dibenzothiophen-3-yl-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline (CID 167325670) is 2-dibenzothiophen-3-yl-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 2-dibenzothiophen-3-yl-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 2-dibenzothiophen-3-yl-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3cccc(-c4ccc(-c5cccc6ccccc56)cc4)c3)c3ccccc3-c3ccc4c(c3)sc3ccccc34)cc2)cc1.
What is the InChIKey of 2-dibenzothiophen-3-yl-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is HCYNELQYOGBATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NS/c1-2-12-36(13-3-1)37-28-31-43(32-29-37)53(50-22-8-6-19-47(50)42-30-33-49-48-20-7-9-23-51(48)54-52(49)35-42)44-17-10-16-41(34-44)38-24-26-40(27-25-38)46-21-11-15-39-14-4-5-18-45(39)46/h1-35H.
What are the key properties of 2-dibenzothiophen-3-yl-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline?
2-dibenzothiophen-3-yl-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline 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 2-dibenzothiophen-3-yl-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 167325670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).