7-N,7-N-diphenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,7-diamine

C36H26N2S — CID 131979998

IUPAC7-N,7-N-diphenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,7-diamine
SMILESc1ccc(-c2cccc(Nc3ccc4c(c3)sc3cc(N(c5ccccc5)c5ccccc5)ccc34)c2)cc1
InChIInChI=1S/C36H26N2S/c1-4-11-26(12-5-1)27-13-10-14-28(23-27)37-29-19-21-33-34-22-20-32(25-36(34)39-35(33)24-29)38(30-15-6-2-7-16-30)31-17-8-3-9-18-31/h1-25,37H
InChIKeyUPWHIYCVFBWVTL-UHFFFAOYSA-N
MW518.69 g/mol
LogP10.93
Rot. Bonds6

About 7-N,7-N-diphenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,7-diamine

7-N,7-N-diphenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,7-diamine (PubChem CID 131979998) has the molecular formula C36H26N2S and a molecular weight of 518.69 g/mol. Its IUPAC name is 7-N,7-N-diphenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,7-diamine.

Molecular Properties

Compound Name7-N,7-N-diphenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,7-diamine
PubChem CID131979998
Molecular FormulaC36H26N2S
Molecular Weight518.69 g/mol
Exact Mass518.18
IUPAC Name7-N,7-N-diphenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,7-diamine
SMILESc1ccc(-c2cccc(Nc3ccc4c(c3)sc3cc(N(c5ccccc5)c5ccccc5)ccc34)c2)cc1
InChIInChI=1S/C36H26N2S/c1-4-11-26(12-5-1)27-13-10-14-28(23-27)37-29-19-21-33-34-22-20-32(25-36(34)39-35(33)24-29)38(30-15-6-2-7-16-30)31-17-8-3-9-18-31/h1-25,37H
InChIKeyUPWHIYCVFBWVTL-UHFFFAOYSA-N
XLogP10.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.69
LogP ≤ 510.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-8-[3-(N-phenylanilino)phenyl]dibenzothiophen-3-amine
CID 131980060
3-N,3-N,7-N,7-N-tetrakis(4-phenylphenyl)dibenzothiophene-3,7-diamine
CID 121327972
N,4-diphenyl-N-[4-(7-phenyldibenzothiophen-3-yl)phenyl]aniline
CID 118186820
2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 131979910
7-N-dibenzofuran-2-yl-2-N-phenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 131980025
5-(7-anilinodibenzothiophen-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 131980064
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 131979873
N-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 154031425
1-N-dibenzothiophen-2-yl-3-N,3-N-diphenylbenzene-1,3-diamine
CID 122666295
8-N-dibenzothiophen-3-yl-2-N,8-N-diphenyldibenzofuran-2,8-diamine
CID 129194325
N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N,4-diphenylaniline
CID 118186818
N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-4-phenylaniline
CID 121261338

Frequently Asked Questions

What is the IUPAC name of 7-N,7-N-diphenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,7-diamine?
The IUPAC name of 7-N,7-N-diphenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,7-diamine (CID 131979998) is 7-N,7-N-diphenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,7-diamine.
What is the SMILES notation for 7-N,7-N-diphenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,7-diamine?
The canonical SMILES for 7-N,7-N-diphenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,7-diamine is c1ccc(-c2cccc(Nc3ccc4c(c3)sc3cc(N(c5ccccc5)c5ccccc5)ccc34)c2)cc1.
What is the InChIKey of 7-N,7-N-diphenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,7-diamine?
The InChIKey is UPWHIYCVFBWVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N2S/c1-4-11-26(12-5-1)27-13-10-14-28(23-27)37-29-19-21-33-34-22-20-32(25-36(34)39-35(33)24-29)38(30-15-6-2-7-16-30)31-17-8-3-9-18-31/h1-25,37H.
What are the key properties of 7-N,7-N-diphenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,7-diamine?
7-N,7-N-diphenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,7-diamine has a molecular weight of 518.69 g/mol, XLogP of 10.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N,7-N-diphenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,7-diamine is sourced from PubChem (CID 131979998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).