3-N,5-N-di(dibenzothiophen-1-yl)-1-N,1-N,3-N-triphenylbenzene-1,3,5-triamine

C48H33N3S2 — CID 164932243

IUPAC3-N,5-N-di(dibenzothiophen-1-yl)-1-N,1-N,3-N-triphenylbenzene-1,3,5-triamine
SMILESc1ccc(N(c2ccccc2)c2cc(Nc3cccc4sc5ccccc5c34)cc(N(c3ccccc3)c3cccc4sc5ccccc5c34)c2)cc1
InChIInChI=1S/C48H33N3S2/c1-4-16-34(17-5-1)50(35-18-6-2-7-19-35)37-30-33(49-41-24-14-28-45-47(41)39-22-10-12-26-43(39)52-45)31-38(32-37)51(36-20-8-3-9-21-36)42-25-15-29-46-48(42)40-23-11-13-27-44(40)53-46/h1-32,49H
InChIKeyRPAMCEYNXMNWCN-UHFFFAOYSA-N
MW715.95 g/mol
LogP15.11
Rot. Bonds8

About 3-N,5-N-di(dibenzothiophen-1-yl)-1-N,1-N,3-N-triphenylbenzene-1,3,5-triamine

3-N,5-N-di(dibenzothiophen-1-yl)-1-N,1-N,3-N-triphenylbenzene-1,3,5-triamine (PubChem CID 164932243) has the molecular formula C48H33N3S2 and a molecular weight of 715.95 g/mol. Its IUPAC name is 3-N,5-N-di(dibenzothiophen-1-yl)-1-N,1-N,3-N-triphenylbenzene-1,3,5-triamine.

Molecular Properties

Compound Name3-N,5-N-di(dibenzothiophen-1-yl)-1-N,1-N,3-N-triphenylbenzene-1,3,5-triamine
PubChem CID164932243
Molecular FormulaC48H33N3S2
Molecular Weight715.95 g/mol
Exact Mass715.21
IUPAC Name3-N,5-N-di(dibenzothiophen-1-yl)-1-N,1-N,3-N-triphenylbenzene-1,3,5-triamine
SMILESc1ccc(N(c2ccccc2)c2cc(Nc3cccc4sc5ccccc5c34)cc(N(c3ccccc3)c3cccc4sc5ccccc5c34)c2)cc1
InChIInChI=1S/C48H33N3S2/c1-4-16-34(17-5-1)50(35-18-6-2-7-19-35)37-30-33(49-41-24-14-28-45-47(41)39-22-10-12-26-43(39)52-45)31-38(32-37)51(36-20-8-3-9-21-36)42-25-15-29-46-48(42)40-23-11-13-27-44(40)53-46/h1-32,49H
InChIKeyRPAMCEYNXMNWCN-UHFFFAOYSA-N
XLogP15.11
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.95
LogP ≤ 515.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-N,5-N-di(dibenzothiophen-1-yl)-1-N,1-N,3-N-triphenylbenzene-1,3,5-triamine with MolForge

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Related Compounds

N-phenyldibenzothiophen-1-amine
CID 126538366
1-N,1-N,3-N-triphenyl-3-N-[6-(N-phenylanilino)dibenzothiophen-1-yl]dibenzothiophene-1,3-diamine
CID 146550696
5-dibenzothiophen-1-yl-3-N-naphthalen-1-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 134337286
N-[3-[2-(N-dibenzothiophen-1-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-1-amine
CID 167087062
1-N,1-N,3-N-triphenyl-3-N-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophene-1,3-diamine;1-N,1-N,3-N-triphenyl-3-N-[9-(N-phenylanilino)dibenzothiophen-4-yl]dibenzothiophene-1,3-diamine;1-N,3-N,3-N-triphenyl-1-N-[8-(N-phenylanilino)dibenzothiophen-1-yl]dibenzothiophene-1,3-diamine
CID 163676818
N,N-bis[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 164744357
N-(4-methylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 156521449
N-phenyl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzothiophen-1-amine
CID 174255832
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167324059
N-[4-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-3-yl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 134553278
1-N,1-N,3-N-triphenyl-3-N-[8-(N-phenylanilino)dibenzothiophen-4-yl]dibenzothiophene-1,3-diamine
CID 146550689
N-[4-(2-phenylphenyl)phenyl]-N-[3-[2-(3-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine
CID 164744330

Frequently Asked Questions

What is the IUPAC name of 3-N,5-N-di(dibenzothiophen-1-yl)-1-N,1-N,3-N-triphenylbenzene-1,3,5-triamine?
The IUPAC name of 3-N,5-N-di(dibenzothiophen-1-yl)-1-N,1-N,3-N-triphenylbenzene-1,3,5-triamine (CID 164932243) is 3-N,5-N-di(dibenzothiophen-1-yl)-1-N,1-N,3-N-triphenylbenzene-1,3,5-triamine.
What is the SMILES notation for 3-N,5-N-di(dibenzothiophen-1-yl)-1-N,1-N,3-N-triphenylbenzene-1,3,5-triamine?
The canonical SMILES for 3-N,5-N-di(dibenzothiophen-1-yl)-1-N,1-N,3-N-triphenylbenzene-1,3,5-triamine is c1ccc(N(c2ccccc2)c2cc(Nc3cccc4sc5ccccc5c34)cc(N(c3ccccc3)c3cccc4sc5ccccc5c34)c2)cc1.
What is the InChIKey of 3-N,5-N-di(dibenzothiophen-1-yl)-1-N,1-N,3-N-triphenylbenzene-1,3,5-triamine?
The InChIKey is RPAMCEYNXMNWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3S2/c1-4-16-34(17-5-1)50(35-18-6-2-7-19-35)37-30-33(49-41-24-14-28-45-47(41)39-22-10-12-26-43(39)52-45)31-38(32-37)51(36-20-8-3-9-21-36)42-25-15-29-46-48(42)40-23-11-13-27-44(40)53-46/h1-32,49H.
What are the key properties of 3-N,5-N-di(dibenzothiophen-1-yl)-1-N,1-N,3-N-triphenylbenzene-1,3,5-triamine?
3-N,5-N-di(dibenzothiophen-1-yl)-1-N,1-N,3-N-triphenylbenzene-1,3,5-triamine has a molecular weight of 715.95 g/mol, XLogP of 15.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,5-N-di(dibenzothiophen-1-yl)-1-N,1-N,3-N-triphenylbenzene-1,3,5-triamine is sourced from PubChem (CID 164932243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).