5-N-(4-dibenzothiophen-2-ylphenyl)-1-N,3-N-bis(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine

C78H51N3S3 — CID 118605064

IUPAC5-N-(4-dibenzothiophen-2-ylphenyl)-1-N,3-N-bis(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
SMILESc1ccc(N(c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)c2cc(N(c3ccccc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc(N(c3ccccc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)c2)cc1
InChIInChI=1S/C78H51N3S3/c1-4-18-56(19-5-1)79(59-41-34-52(35-42-59)55-40-47-76-72(48-55)69-26-12-13-31-73(69)82-76)62-49-63(80(57-20-6-2-7-21-57)60-43-36-53(37-44-60)65-27-16-29-70-67-24-10-14-32-74(67)83-77(65)70)51-64(50-62)81(58-22-8-3-9-23-58)61-45-38-54(39-46-61)66-28-17-30-71-68-25-11-15-33-75(68)84-78(66)71/h1-51H
InChIKeyGIWVKFMQHPSYHC-UHFFFAOYSA-N
MW1126.49 g/mol
LogP24.20
Rot. Bonds12

About 5-N-(4-dibenzothiophen-2-ylphenyl)-1-N,3-N-bis(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine

5-N-(4-dibenzothiophen-2-ylphenyl)-1-N,3-N-bis(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine (PubChem CID 118605064) has the molecular formula C78H51N3S3 and a molecular weight of 1126.49 g/mol. Its IUPAC name is 5-N-(4-dibenzothiophen-2-ylphenyl)-1-N,3-N-bis(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine.

Molecular Properties

Compound Name5-N-(4-dibenzothiophen-2-ylphenyl)-1-N,3-N-bis(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
PubChem CID118605064
Molecular FormulaC78H51N3S3
Molecular Weight1126.49 g/mol
Exact Mass1125.32
IUPAC Name5-N-(4-dibenzothiophen-2-ylphenyl)-1-N,3-N-bis(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
SMILESc1ccc(N(c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)c2cc(N(c3ccccc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc(N(c3ccccc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)c2)cc1
InChIInChI=1S/C78H51N3S3/c1-4-18-56(19-5-1)79(59-41-34-52(35-42-59)55-40-47-76-72(48-55)69-26-12-13-31-73(69)82-76)62-49-63(80(57-20-6-2-7-21-57)60-43-36-53(37-44-60)65-27-16-29-70-67-24-10-14-32-74(67)83-77(65)70)51-64(50-62)81(58-22-8-3-9-23-58)61-45-38-54(39-46-61)66-28-17-30-71-68-25-11-15-33-75(68)84-78(66)71/h1-51H
InChIKeyGIWVKFMQHPSYHC-UHFFFAOYSA-N
XLogP24.20
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001126.49
LogP ≤ 524.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-N-(4-dibenzothiophen-2-ylphenyl)-1-N,3-N-bis(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine with MolForge

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Related Compounds

4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 90351007
4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 118406193
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
4-[4-[8-(3-dibenzothiophen-4-ylphenyl)dibenzothiophen-2-yl]phenyl]-N,N-diphenylaniline
CID 90076337
5-N-(4-dibenzothiophen-2-ylphenyl)-1-N-(4-dibenzothiophen-4-ylphenyl)-3-N,3-N-bis(3-methylphenyl)-1-N,5-N-diphenylbenzene-1,3,5-triamine
CID 118605046
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-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
4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 59022081
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90263900
5-bromo-3-N,3-N-bis(4-dibenzothiophen-4-ylphenyl)-1-N,1-N-diphenylbenzene-1,3-diamine
CID 134471589

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-dibenzothiophen-2-ylphenyl)-1-N,3-N-bis(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine?
The IUPAC name of 5-N-(4-dibenzothiophen-2-ylphenyl)-1-N,3-N-bis(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine (CID 118605064) is 5-N-(4-dibenzothiophen-2-ylphenyl)-1-N,3-N-bis(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine.
What is the SMILES notation for 5-N-(4-dibenzothiophen-2-ylphenyl)-1-N,3-N-bis(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine?
The canonical SMILES for 5-N-(4-dibenzothiophen-2-ylphenyl)-1-N,3-N-bis(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine is c1ccc(N(c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)c2cc(N(c3ccccc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc(N(c3ccccc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)c2)cc1.
What is the InChIKey of 5-N-(4-dibenzothiophen-2-ylphenyl)-1-N,3-N-bis(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine?
The InChIKey is GIWVKFMQHPSYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H51N3S3/c1-4-18-56(19-5-1)79(59-41-34-52(35-42-59)55-40-47-76-72(48-55)69-26-12-13-31-73(69)82-76)62-49-63(80(57-20-6-2-7-21-57)60-43-36-53(37-44-60)65-27-16-29-70-67-24-10-14-32-74(67)83-77(65)70)51-64(50-62)81(58-22-8-3-9-23-58)61-45-38-54(39-46-61)66-28-17-30-71-68-25-11-15-33-75(68)84-78(66)71/h1-51H.
What are the key properties of 5-N-(4-dibenzothiophen-2-ylphenyl)-1-N,3-N-bis(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine?
5-N-(4-dibenzothiophen-2-ylphenyl)-1-N,3-N-bis(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine has a molecular weight of 1126.49 g/mol, XLogP of 24.20, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-dibenzothiophen-2-ylphenyl)-1-N,3-N-bis(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine is sourced from PubChem (CID 118605064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).