N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-(4-dibenzothiophen-4-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline

C62H44N2S2 — CID 59022100

IUPACN-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-(4-dibenzothiophen-4-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
SMILESCc1ccc(N(c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)cc2)c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C62H44N2S2/c1-41-17-29-47(30-18-41)63(51-37-25-45(26-38-51)53-11-7-13-57-55-9-3-5-15-59(55)65-61(53)57)49-33-21-43(22-34-49)44-23-35-50(36-24-44)64(48-31-19-42(2)20-32-48)52-39-27-46(28-40-52)54-12-8-14-58-56-10-4-6-16-60(56)66-62(54)58/h3-40H,1-2H3
InChIKeyIEDQSTWKXCVHHD-UHFFFAOYSA-N
MW881.18 g/mol
LogP18.98
Rot. Bonds9

About N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-(4-dibenzothiophen-4-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline

N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-(4-dibenzothiophen-4-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline (PubChem CID 59022100) has the molecular formula C62H44N2S2 and a molecular weight of 881.18 g/mol. Its IUPAC name is N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-(4-dibenzothiophen-4-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline.

Molecular Properties

Compound NameN-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-(4-dibenzothiophen-4-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
PubChem CID59022100
Molecular FormulaC62H44N2S2
Molecular Weight881.18 g/mol
Exact Mass880.29
IUPAC NameN-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-(4-dibenzothiophen-4-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
SMILESCc1ccc(N(c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)cc2)c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C62H44N2S2/c1-41-17-29-47(30-18-41)63(51-37-25-45(26-38-51)53-11-7-13-57-55-9-3-5-15-59(55)65-61(53)57)49-33-21-43(22-34-49)44-23-35-50(36-24-44)64(48-31-19-42(2)20-32-48)52-39-27-46(28-40-52)54-12-8-14-58-56-10-4-6-16-60(56)66-62(54)58/h3-40H,1-2H3
InChIKeyIEDQSTWKXCVHHD-UHFFFAOYSA-N
XLogP18.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.18
LogP ≤ 518.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90263900
4-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59022057
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-methyl-N-(4-phenylphenyl)aniline
CID 121261297
4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 59022081
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)aniline
CID 147438936
4-(4-methylphenyl)dibenzothiophene;methylphosphane
CID 142353145
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
4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 118406193
5-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 118604840

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-(4-dibenzothiophen-4-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline?
The IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-(4-dibenzothiophen-4-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline (CID 59022100) is N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-(4-dibenzothiophen-4-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline.
What is the SMILES notation for N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-(4-dibenzothiophen-4-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline?
The canonical SMILES for N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-(4-dibenzothiophen-4-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline is Cc1ccc(N(c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)cc2)c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1.
What is the InChIKey of N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-(4-dibenzothiophen-4-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline?
The InChIKey is IEDQSTWKXCVHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44N2S2/c1-41-17-29-47(30-18-41)63(51-37-25-45(26-38-51)53-11-7-13-57-55-9-3-5-15-59(55)65-61(53)57)49-33-21-43(22-34-49)44-23-35-50(36-24-44)64(48-31-19-42(2)20-32-48)52-39-27-46(28-40-52)54-12-8-14-58-56-10-4-6-16-60(56)66-62(54)58/h3-40H,1-2H3.
What are the key properties of N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-(4-dibenzothiophen-4-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline?
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-(4-dibenzothiophen-4-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline has a molecular weight of 881.18 g/mol, XLogP of 18.98, 9 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)-N-[4-[4-(N-(4-dibenzothiophen-4-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline is sourced from PubChem (CID 59022100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).