3-dibenzothiophen-1-yl-N-phenylaniline;3-dibenzothiophen-2-yl-N-phenylaniline;4-dibenzothiophen-4-yl-N-phenylaniline;3-(3-dibenzothiophen-1-ylphenyl)-N-phenylaniline

C102H72N4S4 — CID 167592386

IUPAC3-dibenzothiophen-1-yl-N-phenylaniline;3-dibenzothiophen-2-yl-N-phenylaniline;4-dibenzothiophen-4-yl-N-phenylaniline;3-(3-dibenzothiophen-1-ylphenyl)-N-phenylaniline
SMILESc1ccc(Nc2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1.c1ccc(Nc2cccc(-c3ccc4sc5ccccc5c4c3)c2)cc1.c1ccc(Nc2cccc(-c3cccc(-c4cccc5sc6ccccc6c45)c3)c2)cc1.c1ccc(Nc2cccc(-c3cccc4sc5ccccc5c34)c2)cc1
InChIInChI=1S/C30H21NS.3C24H17NS/c1-2-12-24(13-3-1)31-25-14-7-10-22(20-25)21-9-6-11-23(19-21)26-16-8-18-29-30(26)27-15-4-5-17-28(27)32-29;1-2-9-18(10-3-1)25-19-11-6-8-17(16-19)20-13-7-15-23-24(20)21-12-4-5-14-22(21)26-23;1-2-8-19(9-3-1)25-20-10-6-7-17(15-20)18-13-14-24-22(16-18)21-11-4-5-12-23(21)26-24;1-2-7-18(8-3-1)25-19-15-13-17(14-16-19)20-10-6-11-22-21-9-4-5-12-23(21)26-24(20)22/h1-20,31H;3*1-16,25H
InChIKeyIPFVZKZQOMJGAR-UHFFFAOYSA-N
MW1481.99 g/mol
LogP31.53
Rot. Bonds13

About 3-dibenzothiophen-1-yl-N-phenylaniline;3-dibenzothiophen-2-yl-N-phenylaniline;4-dibenzothiophen-4-yl-N-phenylaniline;3-(3-dibenzothiophen-1-ylphenyl)-N-phenylaniline

3-dibenzothiophen-1-yl-N-phenylaniline;3-dibenzothiophen-2-yl-N-phenylaniline;4-dibenzothiophen-4-yl-N-phenylaniline;3-(3-dibenzothiophen-1-ylphenyl)-N-phenylaniline (PubChem CID 167592386) has the molecular formula C102H72N4S4 and a molecular weight of 1481.99 g/mol. Its IUPAC name is 3-dibenzothiophen-1-yl-N-phenylaniline;3-dibenzothiophen-2-yl-N-phenylaniline;4-dibenzothiophen-4-yl-N-phenylaniline;3-(3-dibenzothiophen-1-ylphenyl)-N-phenylaniline.

Molecular Properties

Compound Name3-dibenzothiophen-1-yl-N-phenylaniline;3-dibenzothiophen-2-yl-N-phenylaniline;4-dibenzothiophen-4-yl-N-phenylaniline;3-(3-dibenzothiophen-1-ylphenyl)-N-phenylaniline
PubChem CID167592386
Molecular FormulaC102H72N4S4
Molecular Weight1481.99 g/mol
Exact Mass1480.46
IUPAC Name3-dibenzothiophen-1-yl-N-phenylaniline;3-dibenzothiophen-2-yl-N-phenylaniline;4-dibenzothiophen-4-yl-N-phenylaniline;3-(3-dibenzothiophen-1-ylphenyl)-N-phenylaniline
SMILESc1ccc(Nc2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1.c1ccc(Nc2cccc(-c3ccc4sc5ccccc5c4c3)c2)cc1.c1ccc(Nc2cccc(-c3cccc(-c4cccc5sc6ccccc6c45)c3)c2)cc1.c1ccc(Nc2cccc(-c3cccc4sc5ccccc5c34)c2)cc1
InChIInChI=1S/C30H21NS.3C24H17NS/c1-2-12-24(13-3-1)31-25-14-7-10-22(20-25)21-9-6-11-23(19-21)26-16-8-18-29-30(26)27-15-4-5-17-28(27)32-29;1-2-9-18(10-3-1)25-19-11-6-8-17(16-19)20-13-7-15-23-24(20)21-12-4-5-14-22(21)26-23;1-2-8-19(9-3-1)25-20-10-6-7-17(15-20)18-13-14-24-22(16-18)21-11-4-5-12-23(21)26-24;1-2-7-18(8-3-1)25-19-15-13-17(14-16-19)20-10-6-11-22-21-9-4-5-12-23(21)26-24(20)22/h1-20,31H;3*1-16,25H
InChIKeyIPFVZKZQOMJGAR-UHFFFAOYSA-N
XLogP31.53
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001481.99
LogP ≤ 531.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 3-dibenzothiophen-1-yl-N-phenylaniline;3-dibenzothiophen-2-yl-N-phenylaniline;4-dibenzothiophen-4-yl-N-phenylaniline;3-(3-dibenzothiophen-1-ylphenyl)-N-phenylaniline with MolForge

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Related Compounds

6-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-2-[6-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophen-1-yl]dibenzothiophene
CID 153066120
N,9-diphenyldibenzothiophen-2-amine
CID 139422574
4-dibenzothiophen-1-yl-N-phenylaniline
CID 134240778
N-(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N-(3-phenylphenyl)dibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 164973575
4-[4-[8-(3-dibenzothiophen-4-ylphenyl)dibenzothiophen-2-yl]phenyl]-N,N-diphenylaniline
CID 90076337
N-(3,5-diphenylphenyl)dibenzothiophen-1-amine;N-(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N-(6-phenylnaphthalen-2-yl)dibenzothiophen-2-amine;N-(3-phenylphenyl)dibenzothiophen-2-amine
CID 158916839
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
N-(3-dibenzothiophen-1-ylphenyl)naphthalen-2-amine
CID 169073524
2-(3-dibenzothiophen-1-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-2-ylphenyl)-4-(4-dibenzothiophen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-3-ylphenyl)-4-(4-dibenzothiophen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(4-dibenzothiophen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 161029861
2-(3-dibenzothiophen-1-ylphenyl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-2-ylphenyl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-3-ylphenyl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167660422
2-[3-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]dibenzothiophene;4-[3-[3-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]phenyl]dibenzothiophene;4-[3-[4-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]phenyl]dibenzothiophene
CID 158944259
2-(7-dibenzothiophen-4-yltriphenylen-2-yl)dibenzothiophene
CID 155401257

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-1-yl-N-phenylaniline;3-dibenzothiophen-2-yl-N-phenylaniline;4-dibenzothiophen-4-yl-N-phenylaniline;3-(3-dibenzothiophen-1-ylphenyl)-N-phenylaniline?
The IUPAC name of 3-dibenzothiophen-1-yl-N-phenylaniline;3-dibenzothiophen-2-yl-N-phenylaniline;4-dibenzothiophen-4-yl-N-phenylaniline;3-(3-dibenzothiophen-1-ylphenyl)-N-phenylaniline (CID 167592386) is 3-dibenzothiophen-1-yl-N-phenylaniline;3-dibenzothiophen-2-yl-N-phenylaniline;4-dibenzothiophen-4-yl-N-phenylaniline;3-(3-dibenzothiophen-1-ylphenyl)-N-phenylaniline.
What is the SMILES notation for 3-dibenzothiophen-1-yl-N-phenylaniline;3-dibenzothiophen-2-yl-N-phenylaniline;4-dibenzothiophen-4-yl-N-phenylaniline;3-(3-dibenzothiophen-1-ylphenyl)-N-phenylaniline?
The canonical SMILES for 3-dibenzothiophen-1-yl-N-phenylaniline;3-dibenzothiophen-2-yl-N-phenylaniline;4-dibenzothiophen-4-yl-N-phenylaniline;3-(3-dibenzothiophen-1-ylphenyl)-N-phenylaniline is c1ccc(Nc2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1.c1ccc(Nc2cccc(-c3ccc4sc5ccccc5c4c3)c2)cc1.c1ccc(Nc2cccc(-c3cccc(-c4cccc5sc6ccccc6c45)c3)c2)cc1.c1ccc(Nc2cccc(-c3cccc4sc5ccccc5c34)c2)cc1.
What is the InChIKey of 3-dibenzothiophen-1-yl-N-phenylaniline;3-dibenzothiophen-2-yl-N-phenylaniline;4-dibenzothiophen-4-yl-N-phenylaniline;3-(3-dibenzothiophen-1-ylphenyl)-N-phenylaniline?
The InChIKey is IPFVZKZQOMJGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21NS.3C24H17NS/c1-2-12-24(13-3-1)31-25-14-7-10-22(20-25)21-9-6-11-23(19-21)26-16-8-18-29-30(26)27-15-4-5-17-28(27)32-29;1-2-9-18(10-3-1)25-19-11-6-8-17(16-19)20-13-7-15-23-24(20)21-12-4-5-14-22(21)26-23;1-2-8-19(9-3-1)25-20-10-6-7-17(15-20)18-13-14-24-22(16-18)21-11-4-5-12-23(21)26-24;1-2-7-18(8-3-1)25-19-15-13-17(14-16-19)20-10-6-11-22-21-9-4-5-12-23(21)26-24(20)22/h1-20,31H;3*1-16,25H.
What are the key properties of 3-dibenzothiophen-1-yl-N-phenylaniline;3-dibenzothiophen-2-yl-N-phenylaniline;4-dibenzothiophen-4-yl-N-phenylaniline;3-(3-dibenzothiophen-1-ylphenyl)-N-phenylaniline?
3-dibenzothiophen-1-yl-N-phenylaniline;3-dibenzothiophen-2-yl-N-phenylaniline;4-dibenzothiophen-4-yl-N-phenylaniline;3-(3-dibenzothiophen-1-ylphenyl)-N-phenylaniline has a molecular weight of 1481.99 g/mol, XLogP of 31.53, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-1-yl-N-phenylaniline;3-dibenzothiophen-2-yl-N-phenylaniline;4-dibenzothiophen-4-yl-N-phenylaniline;3-(3-dibenzothiophen-1-ylphenyl)-N-phenylaniline is sourced from PubChem (CID 167592386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).