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

C52H35NS — CID 167325271

IUPAC2-dibenzothiophen-4-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccc6ccccc6c5)c4)cc3)c3ccccc3-c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C52H35NS/c1-2-12-36(13-3-1)38-26-30-44(31-27-38)53(50-22-8-6-18-46(50)48-20-11-21-49-47-19-7-9-23-51(47)54-52(48)49)45-32-28-39(29-33-45)41-16-10-17-42(34-41)43-25-24-37-14-4-5-15-40(37)35-43/h1-35H
InChIKeyZQWNGJCDRPUDBT-UHFFFAOYSA-N
MW705.93 g/mol
LogP15.35
Rot. Bonds7

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

2-dibenzothiophen-4-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 167325271) has the molecular formula C52H35NS and a molecular weight of 705.93 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
PubChem CID167325271
Molecular FormulaC52H35NS
Molecular Weight705.93 g/mol
Exact Mass705.25
IUPAC Name2-dibenzothiophen-4-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccc6ccccc6c5)c4)cc3)c3ccccc3-c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C52H35NS/c1-2-12-36(13-3-1)38-26-30-44(31-27-38)53(50-22-8-6-18-46(50)48-20-11-21-49-47-19-7-9-23-51(47)54-52(48)49)45-32-28-39(29-33-45)41-16-10-17-42(34-41)43-25-24-37-14-4-5-15-40(37)35-43/h1-35H
InChIKeyZQWNGJCDRPUDBT-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-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 166566107
2,6-di(dibenzothiophen-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 122646680
4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]aniline
CID 70808692
N-[2-[2-[N-(3-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-4-amine
CID 167086407
2-dibenzothiophen-4-yl-N-phenyl-N-(4-phenylphenyl)aniline
CID 129274012
2-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 167324943
2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)-N,N-bis(4-naphthalen-2-ylphenyl)aniline;2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)-N,N-bis(4-phenylphenyl)aniline;N-[4-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 165045059
N-[2-[2-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 167086408
N-(4-naphthalen-2-ylphenyl)-2-[2-(4-naphthalen-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]anilino)phenyl]-N-[4-(6-phenyldibenzothiophen-3-yl)phenyl]aniline
CID 167087066
N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 154960998
N-(4-naphthalen-1-ylphenyl)-N-[4-(7-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 154605620
4-dibenzothiophen-4-yl-N-naphthalen-2-yl-N-[3-[2-[N-naphthalen-2-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]naphthalen-1-amine
CID 167086388

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 2-dibenzothiophen-4-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline (CID 167325271) is 2-dibenzothiophen-4-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 2-dibenzothiophen-4-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 2-dibenzothiophen-4-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccc6ccccc6c5)c4)cc3)c3ccccc3-c3cccc4c3sc3ccccc34)cc2)cc1.
What is the InChIKey of 2-dibenzothiophen-4-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is ZQWNGJCDRPUDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NS/c1-2-12-36(13-3-1)38-26-30-44(31-27-38)53(50-22-8-6-18-46(50)48-20-11-21-49-47-19-7-9-23-51(47)54-52(48)49)45-32-28-39(29-33-45)41-16-10-17-42(34-41)43-25-24-37-14-4-5-15-40(37)35-43/h1-35H.
What are the key properties of 2-dibenzothiophen-4-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline?
2-dibenzothiophen-4-yl-N-[4-(3-naphthalen-2-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-4-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 167325271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).