N-(4-dibenzothiophen-4-ylphenyl)-4-(6,7-dihydrodibenzothiophen-4-yl)-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]aniline

C60H39NS3 — CID 131994040

IUPACN-(4-dibenzothiophen-4-ylphenyl)-4-(6,7-dihydrodibenzothiophen-4-yl)-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]aniline
SMILESC1=Cc2c(sc3c(-c4ccc(N(c5ccc(-c6cccc7c6sc6ccccc67)cc5)c5ccc(-c6cccc7c6sc6c(-c8ccccc8)cccc67)cc5)cc4)cccc23)CC1
InChIInChI=1S/C60H39NS3/c1-2-12-38(13-3-1)45-16-10-22-53-54-23-11-19-48(60(54)64-59(45)53)41-30-36-44(37-31-41)61(42-32-26-39(27-33-42)46-17-8-20-51-49-14-4-6-24-55(49)62-57(46)51)43-34-28-40(29-35-43)47-18-9-21-52-50-15-5-7-25-56(50)63-58(47)52/h1-6,8-24,26-37H,7,25H2
InChIKeyDRKGNCUIDOLZER-UHFFFAOYSA-N
MW870.18 g/mol
LogP18.73
Rot. Bonds7

About N-(4-dibenzothiophen-4-ylphenyl)-4-(6,7-dihydrodibenzothiophen-4-yl)-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]aniline

N-(4-dibenzothiophen-4-ylphenyl)-4-(6,7-dihydrodibenzothiophen-4-yl)-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]aniline (PubChem CID 131994040) has the molecular formula C60H39NS3 and a molecular weight of 870.18 g/mol. Its IUPAC name is N-(4-dibenzothiophen-4-ylphenyl)-4-(6,7-dihydrodibenzothiophen-4-yl)-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-dibenzothiophen-4-ylphenyl)-4-(6,7-dihydrodibenzothiophen-4-yl)-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]aniline
PubChem CID131994040
Molecular FormulaC60H39NS3
Molecular Weight870.18 g/mol
Exact Mass869.22
IUPAC NameN-(4-dibenzothiophen-4-ylphenyl)-4-(6,7-dihydrodibenzothiophen-4-yl)-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]aniline
SMILESC1=Cc2c(sc3c(-c4ccc(N(c5ccc(-c6cccc7c6sc6ccccc67)cc5)c5ccc(-c6cccc7c6sc6c(-c8ccccc8)cccc67)cc5)cc4)cccc23)CC1
InChIInChI=1S/C60H39NS3/c1-2-12-38(13-3-1)45-16-10-22-53-54-23-11-19-48(60(54)64-59(45)53)41-30-36-44(37-31-41)61(42-32-26-39(27-33-42)46-17-8-20-51-49-14-4-6-24-55(49)62-57(46)51)43-34-28-40(29-35-43)47-18-9-21-52-50-15-5-7-25-56(50)63-58(47)52/h1-6,8-24,26-37H,7,25H2
InChIKeyDRKGNCUIDOLZER-UHFFFAOYSA-N
XLogP18.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500870.18
LogP ≤ 518.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90263900
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)aniline
CID 147438936
4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 59022081
4-dibenzothiophen-4-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline
CID 59022060
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
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118405906
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-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 121261293
N-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 167396867
2-dibenzothiophen-4-yl-4-(6,7-dihydrodibenzothiophen-4-yl)-6-(2-naphthalen-1-yl-3,6-diphenylphenyl)-1,3,5-triazine
CID 163606738
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261291

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-4-(6,7-dihydrodibenzothiophen-4-yl)-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]aniline?
The IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-4-(6,7-dihydrodibenzothiophen-4-yl)-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]aniline (CID 131994040) is N-(4-dibenzothiophen-4-ylphenyl)-4-(6,7-dihydrodibenzothiophen-4-yl)-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]aniline.
What is the SMILES notation for N-(4-dibenzothiophen-4-ylphenyl)-4-(6,7-dihydrodibenzothiophen-4-yl)-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]aniline?
The canonical SMILES for N-(4-dibenzothiophen-4-ylphenyl)-4-(6,7-dihydrodibenzothiophen-4-yl)-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]aniline is C1=Cc2c(sc3c(-c4ccc(N(c5ccc(-c6cccc7c6sc6ccccc67)cc5)c5ccc(-c6cccc7c6sc6c(-c8ccccc8)cccc67)cc5)cc4)cccc23)CC1.
What is the InChIKey of N-(4-dibenzothiophen-4-ylphenyl)-4-(6,7-dihydrodibenzothiophen-4-yl)-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]aniline?
The InChIKey is DRKGNCUIDOLZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39NS3/c1-2-12-38(13-3-1)45-16-10-22-53-54-23-11-19-48(60(54)64-59(45)53)41-30-36-44(37-31-41)61(42-32-26-39(27-33-42)46-17-8-20-51-49-14-4-6-24-55(49)62-57(46)51)43-34-28-40(29-35-43)47-18-9-21-52-50-15-5-7-25-56(50)63-58(47)52/h1-6,8-24,26-37H,7,25H2.
What are the key properties of N-(4-dibenzothiophen-4-ylphenyl)-4-(6,7-dihydrodibenzothiophen-4-yl)-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]aniline?
N-(4-dibenzothiophen-4-ylphenyl)-4-(6,7-dihydrodibenzothiophen-4-yl)-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]aniline has a molecular weight of 870.18 g/mol, XLogP of 18.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-4-ylphenyl)-4-(6,7-dihydrodibenzothiophen-4-yl)-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]aniline is sourced from PubChem (CID 131994040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).