4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8-triphenyldibenzothiophen-2-yl)phenyl]aniline

C60H43NS — CID 134462258

IUPAC4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8-triphenyldibenzothiophen-2-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)-c4cc(-c6ccccc6)ccc4S5(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C60H43NS/c1-6-16-44(17-7-1)47-26-34-52(35-27-47)61(53-36-28-48(29-37-53)45-18-8-2-9-19-45)54-38-30-49(31-39-54)51-33-41-60-58(43-51)57-42-50(46-20-10-3-11-21-46)32-40-59(57)62(60,55-22-12-4-13-23-55)56-24-14-5-15-25-56/h1-43H
InChIKeyCLPZFKBYJVEWBX-UHFFFAOYSA-N
MW810.08 g/mol
LogP17.15
Rot. Bonds9

About 4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8-triphenyldibenzothiophen-2-yl)phenyl]aniline

4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8-triphenyldibenzothiophen-2-yl)phenyl]aniline (PubChem CID 134462258) has the molecular formula C60H43NS and a molecular weight of 810.08 g/mol. Its IUPAC name is 4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8-triphenyldibenzothiophen-2-yl)phenyl]aniline.

Molecular Properties

Compound Name4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8-triphenyldibenzothiophen-2-yl)phenyl]aniline
PubChem CID134462258
Molecular FormulaC60H43NS
Molecular Weight810.08 g/mol
Exact Mass809.31
IUPAC Name4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8-triphenyldibenzothiophen-2-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)-c4cc(-c6ccccc6)ccc4S5(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C60H43NS/c1-6-16-44(17-7-1)47-26-34-52(35-27-47)61(53-36-28-48(29-37-53)45-18-8-2-9-19-45)54-38-30-49(31-39-54)51-33-41-60-58(43-51)57-42-50(46-20-10-3-11-21-46)32-40-59(57)62(60,55-22-12-4-13-23-55)56-24-14-5-15-25-56/h1-43H
InChIKeyCLPZFKBYJVEWBX-UHFFFAOYSA-N
XLogP17.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.08
LogP ≤ 517.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(5,5-diphenyldibenzothiophen-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 166898690
4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 134370557
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[3-(4-phenylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]aniline
CID 58672379
4-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118314823
5,5-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-9-amine
CID 169285419
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003706
1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]benzene-1,4-diamine
CID 89266505
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline;4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159709491
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 58876469
N,N-diphenyl-4-[4-(N-[4-[3-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]aniline
CID 59566446
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8-triphenyldibenzothiophen-2-yl)phenyl]aniline?
The IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8-triphenyldibenzothiophen-2-yl)phenyl]aniline (CID 134462258) is 4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8-triphenyldibenzothiophen-2-yl)phenyl]aniline.
What is the SMILES notation for 4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8-triphenyldibenzothiophen-2-yl)phenyl]aniline?
The canonical SMILES for 4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8-triphenyldibenzothiophen-2-yl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)-c4cc(-c6ccccc6)ccc4S5(c4ccccc4)c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8-triphenyldibenzothiophen-2-yl)phenyl]aniline?
The InChIKey is CLPZFKBYJVEWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43NS/c1-6-16-44(17-7-1)47-26-34-52(35-27-47)61(53-36-28-48(29-37-53)45-18-8-2-9-19-45)54-38-30-49(31-39-54)51-33-41-60-58(43-51)57-42-50(46-20-10-3-11-21-46)32-40-59(57)62(60,55-22-12-4-13-23-55)56-24-14-5-15-25-56/h1-43H.
What are the key properties of 4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8-triphenyldibenzothiophen-2-yl)phenyl]aniline?
4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8-triphenyldibenzothiophen-2-yl)phenyl]aniline has a molecular weight of 810.08 g/mol, XLogP of 17.15, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8-triphenyldibenzothiophen-2-yl)phenyl]aniline is sourced from PubChem (CID 134462258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).