N,4-diphenyl-N-[4-[4-(4-phenylphenyl)dibenzothiophen-2-yl]phenyl]aniline

C48H33NS — CID 140919485

IUPACN,4-diphenyl-N-[4-[4-(4-phenylphenyl)dibenzothiophen-2-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)cc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C48H33NS/c1-4-12-34(13-5-1)36-20-22-39(23-21-36)45-32-40(33-46-44-18-10-11-19-47(44)50-48(45)46)38-26-30-43(31-27-38)49(41-16-8-3-9-17-41)42-28-24-37(25-29-42)35-14-6-2-7-15-35/h1-33H
InChIKeyCGSJSGVUVNUOIQ-UHFFFAOYSA-N
MW655.87 g/mol
LogP14.19
Rot. Bonds7

About N,4-diphenyl-N-[4-[4-(4-phenylphenyl)dibenzothiophen-2-yl]phenyl]aniline

N,4-diphenyl-N-[4-[4-(4-phenylphenyl)dibenzothiophen-2-yl]phenyl]aniline (PubChem CID 140919485) has the molecular formula C48H33NS and a molecular weight of 655.87 g/mol. Its IUPAC name is N,4-diphenyl-N-[4-[4-(4-phenylphenyl)dibenzothiophen-2-yl]phenyl]aniline.

Molecular Properties

Compound NameN,4-diphenyl-N-[4-[4-(4-phenylphenyl)dibenzothiophen-2-yl]phenyl]aniline
PubChem CID140919485
Molecular FormulaC48H33NS
Molecular Weight655.87 g/mol
Exact Mass655.23
IUPAC NameN,4-diphenyl-N-[4-[4-(4-phenylphenyl)dibenzothiophen-2-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)cc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C48H33NS/c1-4-12-34(13-5-1)36-20-22-39(23-21-36)45-32-40(33-46-44-18-10-11-19-47(44)50-48(45)46)38-26-30-43(31-27-38)49(41-16-8-3-9-17-41)42-28-24-37(25-29-42)35-14-6-2-7-15-35/h1-33H
InChIKeyCGSJSGVUVNUOIQ-UHFFFAOYSA-N
XLogP14.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.87
LogP ≤ 514.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,4-diphenyl-N-[4-(2-phenyldibenzothiophen-4-yl)phenyl]aniline
CID 140919502
N,4-diphenyl-N-[4-[2-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-yl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[2-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-yl]phenyl]aniline
CID 159227024
3-N-(4-dibenzothiophen-4-ylphenyl)-1-N,1-N-diphenyl-3-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine
CID 146579378
N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 121383274
4-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59022057
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
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90263900
2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine
CID 121327989
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118405906
4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 90351007
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-4-phenylaniline
CID 164831578
N-[4-(4-naphthalen-2-yldibenzothiophen-2-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 140919378

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-[4-[4-(4-phenylphenyl)dibenzothiophen-2-yl]phenyl]aniline?
The IUPAC name of N,4-diphenyl-N-[4-[4-(4-phenylphenyl)dibenzothiophen-2-yl]phenyl]aniline (CID 140919485) is N,4-diphenyl-N-[4-[4-(4-phenylphenyl)dibenzothiophen-2-yl]phenyl]aniline.
What is the SMILES notation for N,4-diphenyl-N-[4-[4-(4-phenylphenyl)dibenzothiophen-2-yl]phenyl]aniline?
The canonical SMILES for N,4-diphenyl-N-[4-[4-(4-phenylphenyl)dibenzothiophen-2-yl]phenyl]aniline is c1ccc(-c2ccc(-c3cc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)cc4c3sc3ccccc34)cc2)cc1.
What is the InChIKey of N,4-diphenyl-N-[4-[4-(4-phenylphenyl)dibenzothiophen-2-yl]phenyl]aniline?
The InChIKey is CGSJSGVUVNUOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NS/c1-4-12-34(13-5-1)36-20-22-39(23-21-36)45-32-40(33-46-44-18-10-11-19-47(44)50-48(45)46)38-26-30-43(31-27-38)49(41-16-8-3-9-17-41)42-28-24-37(25-29-42)35-14-6-2-7-15-35/h1-33H.
What are the key properties of N,4-diphenyl-N-[4-[4-(4-phenylphenyl)dibenzothiophen-2-yl]phenyl]aniline?
N,4-diphenyl-N-[4-[4-(4-phenylphenyl)dibenzothiophen-2-yl]phenyl]aniline has a molecular weight of 655.87 g/mol, XLogP of 14.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diphenyl-N-[4-[4-(4-phenylphenyl)dibenzothiophen-2-yl]phenyl]aniline is sourced from PubChem (CID 140919485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).