4-[2-[2-(N-(3,4-diphenylphenyl)anilino)dibenzothiophen-4-yl]phenyl]-N,N-diphenyldibenzothiophen-2-amine

C66H44N2S2 — CID 146638320

IUPAC4-[2-[2-(N-(3,4-diphenylphenyl)anilino)dibenzothiophen-4-yl]phenyl]-N,N-diphenyldibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4ccccc4-c4cc(N(c5ccccc5)c5ccccc5)cc5c4sc4ccccc45)c4sc5ccccc5c4c3)cc2-c2ccccc2)cc1
InChIInChI=1S/C66H44N2S2/c1-6-22-45(23-7-1)53-39-38-50(40-58(53)46-24-8-2-9-25-46)68(49-30-14-5-15-31-49)52-42-60(66-62(44-52)57-35-19-21-37-64(57)70-66)55-33-17-16-32-54(55)59-41-51(43-61-56-34-18-20-36-63(56)69-65(59)61)67(47-26-10-3-11-27-47)48-28-12-4-13-29-48/h1-44H
InChIKeyCYQWOLDNGCUTPB-UHFFFAOYSA-N
MW929.23 g/mol
LogP20.03
Rot. Bonds10

About 4-[2-[2-(N-(3,4-diphenylphenyl)anilino)dibenzothiophen-4-yl]phenyl]-N,N-diphenyldibenzothiophen-2-amine

4-[2-[2-(N-(3,4-diphenylphenyl)anilino)dibenzothiophen-4-yl]phenyl]-N,N-diphenyldibenzothiophen-2-amine (PubChem CID 146638320) has the molecular formula C66H44N2S2 and a molecular weight of 929.23 g/mol. Its IUPAC name is 4-[2-[2-(N-(3,4-diphenylphenyl)anilino)dibenzothiophen-4-yl]phenyl]-N,N-diphenyldibenzothiophen-2-amine.

Molecular Properties

Compound Name4-[2-[2-(N-(3,4-diphenylphenyl)anilino)dibenzothiophen-4-yl]phenyl]-N,N-diphenyldibenzothiophen-2-amine
PubChem CID146638320
Molecular FormulaC66H44N2S2
Molecular Weight929.23 g/mol
Exact Mass928.29
IUPAC Name4-[2-[2-(N-(3,4-diphenylphenyl)anilino)dibenzothiophen-4-yl]phenyl]-N,N-diphenyldibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4ccccc4-c4cc(N(c5ccccc5)c5ccccc5)cc5c4sc4ccccc45)c4sc5ccccc5c4c3)cc2-c2ccccc2)cc1
InChIInChI=1S/C66H44N2S2/c1-6-22-45(23-7-1)53-39-38-50(40-58(53)46-24-8-2-9-25-46)68(49-30-14-5-15-31-49)52-42-60(66-62(44-52)57-35-19-21-37-64(57)70-66)55-33-17-16-32-54(55)59-41-51(43-61-56-34-18-20-36-63(56)69-65(59)61)67(47-26-10-3-11-27-47)48-28-12-4-13-29-48/h1-44H
InChIKeyCYQWOLDNGCUTPB-UHFFFAOYSA-N
XLogP20.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500929.23
LogP ≤ 520.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-dibenzothiophen-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 129129842
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]tetraphenylen-2-amine
CID 139297752
N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-N-phenyltriphenylen-2-amine
CID 148725515
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
4-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-2-amine
CID 169280619
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-amine
CID 140919448
4-(2-carbazol-9-ylphenyl)-N-(3,4-diphenylphenyl)-N-(3-methylphenyl)dibenzothiophen-2-amine
CID 176608635
3-N-dibenzothiophen-2-yl-1-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
CID 118605050
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)aniline
CID 147438936
N,4-diphenyl-N-[4-(2-phenyldibenzothiophen-4-yl)phenyl]aniline
CID 140919502
N,4-diphenyl-N-[4-[4-(4-phenylphenyl)dibenzothiophen-2-yl]phenyl]aniline
CID 140919485

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(N-(3,4-diphenylphenyl)anilino)dibenzothiophen-4-yl]phenyl]-N,N-diphenyldibenzothiophen-2-amine?
The IUPAC name of 4-[2-[2-(N-(3,4-diphenylphenyl)anilino)dibenzothiophen-4-yl]phenyl]-N,N-diphenyldibenzothiophen-2-amine (CID 146638320) is 4-[2-[2-(N-(3,4-diphenylphenyl)anilino)dibenzothiophen-4-yl]phenyl]-N,N-diphenyldibenzothiophen-2-amine.
What is the SMILES notation for 4-[2-[2-(N-(3,4-diphenylphenyl)anilino)dibenzothiophen-4-yl]phenyl]-N,N-diphenyldibenzothiophen-2-amine?
The canonical SMILES for 4-[2-[2-(N-(3,4-diphenylphenyl)anilino)dibenzothiophen-4-yl]phenyl]-N,N-diphenyldibenzothiophen-2-amine is c1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4ccccc4-c4cc(N(c5ccccc5)c5ccccc5)cc5c4sc4ccccc45)c4sc5ccccc5c4c3)cc2-c2ccccc2)cc1.
What is the InChIKey of 4-[2-[2-(N-(3,4-diphenylphenyl)anilino)dibenzothiophen-4-yl]phenyl]-N,N-diphenyldibenzothiophen-2-amine?
The InChIKey is CYQWOLDNGCUTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2S2/c1-6-22-45(23-7-1)53-39-38-50(40-58(53)46-24-8-2-9-25-46)68(49-30-14-5-15-31-49)52-42-60(66-62(44-52)57-35-19-21-37-64(57)70-66)55-33-17-16-32-54(55)59-41-51(43-61-56-34-18-20-36-63(56)69-65(59)61)67(47-26-10-3-11-27-47)48-28-12-4-13-29-48/h1-44H.
What are the key properties of 4-[2-[2-(N-(3,4-diphenylphenyl)anilino)dibenzothiophen-4-yl]phenyl]-N,N-diphenyldibenzothiophen-2-amine?
4-[2-[2-(N-(3,4-diphenylphenyl)anilino)dibenzothiophen-4-yl]phenyl]-N,N-diphenyldibenzothiophen-2-amine has a molecular weight of 929.23 g/mol, XLogP of 20.03, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(N-(3,4-diphenylphenyl)anilino)dibenzothiophen-4-yl]phenyl]-N,N-diphenyldibenzothiophen-2-amine is sourced from PubChem (CID 146638320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).