3-N-dibenzothiophen-2-yl-1-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine

C60H41N3S2 — CID 118605050

IUPAC3-N-dibenzothiophen-2-yl-1-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
SMILESc1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc(N(c3ccccc3)c3ccc4sc5ccccc5c4c3)c2)cc1
InChIInChI=1S/C60H41N3S2/c1-5-18-43(19-6-1)61(44-20-7-2-8-21-44)49-38-50(40-51(39-49)63(46-24-11-4-12-25-46)48-36-37-59-56(41-48)54-27-14-15-30-57(54)64-59)62(45-22-9-3-10-23-45)47-34-32-42(33-35-47)52-28-17-29-55-53-26-13-16-31-58(53)65-60(52)55/h1-41H
InChIKeyCNNBGJBPDCOUDW-UHFFFAOYSA-N
MW868.14 g/mol
LogP18.50
Rot. Bonds10

About 3-N-dibenzothiophen-2-yl-1-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine

3-N-dibenzothiophen-2-yl-1-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine (PubChem CID 118605050) has the molecular formula C60H41N3S2 and a molecular weight of 868.14 g/mol. Its IUPAC name is 3-N-dibenzothiophen-2-yl-1-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine.

Molecular Properties

Compound Name3-N-dibenzothiophen-2-yl-1-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
PubChem CID118605050
Molecular FormulaC60H41N3S2
Molecular Weight868.14 g/mol
Exact Mass867.27
IUPAC Name3-N-dibenzothiophen-2-yl-1-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
SMILESc1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc(N(c3ccccc3)c3ccc4sc5ccccc5c4c3)c2)cc1
InChIInChI=1S/C60H41N3S2/c1-5-18-43(19-6-1)61(44-20-7-2-8-21-44)49-38-50(40-51(39-49)63(46-24-11-4-12-25-46)48-36-37-59-56(41-48)54-27-14-15-30-57(54)64-59)62(45-22-9-3-10-23-45)47-34-32-42(33-35-47)52-28-17-29-55-53-26-13-16-31-58(53)65-60(52)55/h1-41H
InChIKeyCNNBGJBPDCOUDW-UHFFFAOYSA-N
XLogP18.50
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.14
LogP ≤ 518.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

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
4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 90351007
3-N-(4-dibenzothiophen-4-ylphenyl)-1-N,1-N-diphenyl-3-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine
CID 146579378
1-N-dibenzofuran-2-yl-3-N-dibenzothiophen-2-yl-5-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 118605120
4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 59022081
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
4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 118406193
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
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
5-bromo-3-N,3-N-bis(4-dibenzothiophen-4-ylphenyl)-1-N,1-N-diphenylbenzene-1,3-diamine
CID 134471589
4-dibenzothiophen-4-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline
CID 59022060

Frequently Asked Questions

What is the IUPAC name of 3-N-dibenzothiophen-2-yl-1-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine?
The IUPAC name of 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) is 3-N-dibenzothiophen-2-yl-1-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine.
What is the SMILES notation for 3-N-dibenzothiophen-2-yl-1-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine?
The canonical SMILES for 3-N-dibenzothiophen-2-yl-1-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine is c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc(N(c3ccccc3)c3ccc4sc5ccccc5c4c3)c2)cc1.
What is the InChIKey of 3-N-dibenzothiophen-2-yl-1-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine?
The InChIKey is CNNBGJBPDCOUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3S2/c1-5-18-43(19-6-1)61(44-20-7-2-8-21-44)49-38-50(40-51(39-49)63(46-24-11-4-12-25-46)48-36-37-59-56(41-48)54-27-14-15-30-57(54)64-59)62(45-22-9-3-10-23-45)47-34-32-42(33-35-47)52-28-17-29-55-53-26-13-16-31-58(53)65-60(52)55/h1-41H.
What are the key properties of 3-N-dibenzothiophen-2-yl-1-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine?
3-N-dibenzothiophen-2-yl-1-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine has a molecular weight of 868.14 g/mol, XLogP of 18.50, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-dibenzothiophen-2-yl-1-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine is sourced from PubChem (CID 118605050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).