5-N-(4-dibenzothiophen-4-ylphenyl)-5-N-naphthalen-2-yl-1-N,3-N-bis(3-phenylphenyl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3,5-triamine

C82H57N3S — CID 118604879

IUPAC5-N-(4-dibenzothiophen-4-ylphenyl)-5-N-naphthalen-2-yl-1-N,3-N-bis(3-phenylphenyl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cc(N(c4ccc(-c5ccccc5)cc4)c4cccc(-c5ccccc5)c4)cc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4ccc5ccccc5c4)c3)cc2)cc1
InChIInChI=1S/C82H57N3S/c1-5-20-58(21-6-1)63-38-45-69(46-39-63)83(72-32-17-30-67(52-72)60-24-9-3-10-25-60)75-55-76(84(70-47-40-64(41-48-70)59-22-7-2-8-23-59)73-33-18-31-68(53-73)61-26-11-4-12-27-61)57-77(56-75)85(74-51-42-62-28-13-14-29-66(62)54-74)71-49-43-65(44-50-71)78-35-19-36-80-79-34-15-16-37-81(79)86-82(78)80/h1-57H
InChIKeyJSNIFHQQZFGRAE-UHFFFAOYSA-N
MW1116.45 g/mol
LogP23.95
Rot. Bonds14

About 5-N-(4-dibenzothiophen-4-ylphenyl)-5-N-naphthalen-2-yl-1-N,3-N-bis(3-phenylphenyl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3,5-triamine

5-N-(4-dibenzothiophen-4-ylphenyl)-5-N-naphthalen-2-yl-1-N,3-N-bis(3-phenylphenyl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3,5-triamine (PubChem CID 118604879) has the molecular formula C82H57N3S and a molecular weight of 1116.45 g/mol. Its IUPAC name is 5-N-(4-dibenzothiophen-4-ylphenyl)-5-N-naphthalen-2-yl-1-N,3-N-bis(3-phenylphenyl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3,5-triamine.

Molecular Properties

Compound Name5-N-(4-dibenzothiophen-4-ylphenyl)-5-N-naphthalen-2-yl-1-N,3-N-bis(3-phenylphenyl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
PubChem CID118604879
Molecular FormulaC82H57N3S
Molecular Weight1116.45 g/mol
Exact Mass1115.43
IUPAC Name5-N-(4-dibenzothiophen-4-ylphenyl)-5-N-naphthalen-2-yl-1-N,3-N-bis(3-phenylphenyl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cc(N(c4ccc(-c5ccccc5)cc4)c4cccc(-c5ccccc5)c4)cc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4ccc5ccccc5c4)c3)cc2)cc1
InChIInChI=1S/C82H57N3S/c1-5-20-58(21-6-1)63-38-45-69(46-39-63)83(72-32-17-30-67(52-72)60-24-9-3-10-25-60)75-55-76(84(70-47-40-64(41-48-70)59-22-7-2-8-23-59)73-33-18-31-68(53-73)61-26-11-4-12-27-61)57-77(56-75)85(74-51-42-62-28-13-14-29-66(62)54-74)71-49-43-65(44-50-71)78-35-19-36-80-79-34-15-16-37-81(79)86-82(78)80/h1-57H
InChIKeyJSNIFHQQZFGRAE-UHFFFAOYSA-N
XLogP23.95
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001116.45
LogP ≤ 523.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-N-(4-dibenzothiophen-4-ylphenyl)-5-N-naphthalen-2-yl-1-N,3-N-bis(3-phenylphenyl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3,5-triamine with MolForge

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Related Compounds

4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]aniline
CID 70808692
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-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-(4-phenylphenyl)aniline
CID 137392484
N-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 121296524
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
CID 168767596
N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 154960998
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]naphthalen-2-amine
CID 121296621
4-[3,5-di(dibenzothiophen-4-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 158103860
N-(3-dibenzothiophen-4-ylphenyl)-5-naphthalen-2-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 167234902
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118405906
N-[2-[3-[N-(3-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-4-amine
CID 167087052
2,6-di(dibenzothiophen-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 122646680

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-dibenzothiophen-4-ylphenyl)-5-N-naphthalen-2-yl-1-N,3-N-bis(3-phenylphenyl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3,5-triamine?
The IUPAC name of 5-N-(4-dibenzothiophen-4-ylphenyl)-5-N-naphthalen-2-yl-1-N,3-N-bis(3-phenylphenyl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3,5-triamine (CID 118604879) is 5-N-(4-dibenzothiophen-4-ylphenyl)-5-N-naphthalen-2-yl-1-N,3-N-bis(3-phenylphenyl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3,5-triamine.
What is the SMILES notation for 5-N-(4-dibenzothiophen-4-ylphenyl)-5-N-naphthalen-2-yl-1-N,3-N-bis(3-phenylphenyl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3,5-triamine?
The canonical SMILES for 5-N-(4-dibenzothiophen-4-ylphenyl)-5-N-naphthalen-2-yl-1-N,3-N-bis(3-phenylphenyl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3,5-triamine is c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cc(N(c4ccc(-c5ccccc5)cc4)c4cccc(-c5ccccc5)c4)cc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4ccc5ccccc5c4)c3)cc2)cc1.
What is the InChIKey of 5-N-(4-dibenzothiophen-4-ylphenyl)-5-N-naphthalen-2-yl-1-N,3-N-bis(3-phenylphenyl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3,5-triamine?
The InChIKey is JSNIFHQQZFGRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H57N3S/c1-5-20-58(21-6-1)63-38-45-69(46-39-63)83(72-32-17-30-67(52-72)60-24-9-3-10-25-60)75-55-76(84(70-47-40-64(41-48-70)59-22-7-2-8-23-59)73-33-18-31-68(53-73)61-26-11-4-12-27-61)57-77(56-75)85(74-51-42-62-28-13-14-29-66(62)54-74)71-49-43-65(44-50-71)78-35-19-36-80-79-34-15-16-37-81(79)86-82(78)80/h1-57H.
What are the key properties of 5-N-(4-dibenzothiophen-4-ylphenyl)-5-N-naphthalen-2-yl-1-N,3-N-bis(3-phenylphenyl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3,5-triamine?
5-N-(4-dibenzothiophen-4-ylphenyl)-5-N-naphthalen-2-yl-1-N,3-N-bis(3-phenylphenyl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3,5-triamine has a molecular weight of 1116.45 g/mol, XLogP of 23.95, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-dibenzothiophen-4-ylphenyl)-5-N-naphthalen-2-yl-1-N,3-N-bis(3-phenylphenyl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3,5-triamine is sourced from PubChem (CID 118604879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).