4-dibenzothiophen-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline

C60H41NS — CID 129129842

IUPAC4-dibenzothiophen-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5cccc6c5sc5ccccc56)c(-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C60H41NS/c1-4-13-42(14-5-1)44-23-27-46(28-24-44)48-31-35-51(36-32-48)61(52-37-33-49(34-38-52)47-29-25-45(26-30-47)43-15-6-2-7-16-43)53-39-40-54(58(41-53)50-17-8-3-9-18-50)56-20-12-21-57-55-19-10-11-22-59(55)62-60(56)57/h1-41H
InChIKeyATMNINOBWXHHQC-UHFFFAOYSA-N
MW808.06 g/mol
LogP17.53
Rot. Bonds9

About 4-dibenzothiophen-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline

4-dibenzothiophen-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 129129842) has the molecular formula C60H41NS and a molecular weight of 808.06 g/mol. Its IUPAC name is 4-dibenzothiophen-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name4-dibenzothiophen-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
PubChem CID129129842
Molecular FormulaC60H41NS
Molecular Weight808.06 g/mol
Exact Mass807.30
IUPAC Name4-dibenzothiophen-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5cccc6c5sc5ccccc56)c(-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C60H41NS/c1-4-13-42(14-5-1)44-23-27-46(28-24-44)48-31-35-51(36-32-48)61(52-37-33-49(34-38-52)47-29-25-45(26-30-47)43-15-6-2-7-16-43)53-39-40-54(58(41-53)50-17-8-3-9-18-50)56-20-12-21-57-55-19-10-11-22-59(55)62-60(56)57/h1-41H
InChIKeyATMNINOBWXHHQC-UHFFFAOYSA-N
XLogP17.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.06
LogP ≤ 517.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]tetraphenylen-2-amine
CID 139297752
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-4-phenylaniline
CID 164831578
3-N-(4-dibenzothiophen-4-ylphenyl)-1-N,1-N-diphenyl-3-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine
CID 146579378
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90263900
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118405906
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(4-naphthalen-1-yl-3-phenylphenyl)phenyl]-4-phenylaniline
CID 164831553
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)aniline
CID 147438936
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-[2-[2-(N-(3,4-diphenylphenyl)anilino)dibenzothiophen-4-yl]phenyl]-N,N-diphenyldibenzothiophen-2-amine
CID 146638320
N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-N-phenyltriphenylen-2-amine
CID 148725515
N-(4-dibenzothiophen-4-ylphenyl)-17-phenyl-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-11-amine
CID 176597892

Frequently Asked Questions

What is the IUPAC name of 4-dibenzothiophen-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of 4-dibenzothiophen-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline (CID 129129842) is 4-dibenzothiophen-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 4-dibenzothiophen-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for 4-dibenzothiophen-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5cccc6c5sc5ccccc56)c(-c5ccccc5)c4)cc3)cc2)cc1.
What is the InChIKey of 4-dibenzothiophen-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is ATMNINOBWXHHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41NS/c1-4-13-42(14-5-1)44-23-27-46(28-24-44)48-31-35-51(36-32-48)61(52-37-33-49(34-38-52)47-29-25-45(26-30-47)43-15-6-2-7-16-43)53-39-40-54(58(41-53)50-17-8-3-9-18-50)56-20-12-21-57-55-19-10-11-22-59(55)62-60(56)57/h1-41H.
What are the key properties of 4-dibenzothiophen-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline?
4-dibenzothiophen-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 808.06 g/mol, XLogP of 17.53, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzothiophen-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 129129842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).