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

C110H76N4S4 — CID 158916839

IUPACN-(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
SMILESc1ccc(-c2cc(Nc3cccc4sc5ccccc5c34)cc(-c3ccccc3)c2)cc1.c1ccc(-c2ccc3cc(Nc4ccc5sc6ccccc6c5c4)ccc3c2)cc1.c1ccc(-c2cccc(Nc3ccc4sc5ccccc5c4c3)c2)cc1.c1ccc2c(-c3ccc(Nc4ccc5sc6ccccc6c5c4)cc3)cccc2c1
InChIInChI=1S/C30H21NS.2C28H19NS.C24H17NS/c1-3-10-21(11-4-1)23-18-24(22-12-5-2-6-13-22)20-25(19-23)31-27-15-9-17-29-30(27)26-14-7-8-16-28(26)32-29;1-2-8-23-19(6-1)7-5-10-24(23)20-12-14-21(15-13-20)29-22-16-17-28-26(18-22)25-9-3-4-11-27(25)30-28;1-2-6-19(7-3-1)20-10-11-22-17-23(13-12-21(22)16-20)29-24-14-15-28-26(18-24)25-8-4-5-9-27(25)30-28;1-2-7-17(8-3-1)18-9-6-10-19(15-18)25-20-13-14-24-22(16-20)21-11-4-5-12-23(21)26-24/h1-20,31H;2*1-18,29H;1-16,25H
InChIKeyJHIIMPKWLAFUEO-UHFFFAOYSA-N
MW1582.11 g/mol
LogP33.83
Rot. Bonds13

About 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

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 (PubChem CID 158916839) has the molecular formula C110H76N4S4 and a molecular weight of 1582.11 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID158916839
Molecular FormulaC110H76N4S4
Molecular Weight1582.11 g/mol
Exact Mass1580.50
IUPAC NameN-(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
SMILESc1ccc(-c2cc(Nc3cccc4sc5ccccc5c34)cc(-c3ccccc3)c2)cc1.c1ccc(-c2ccc3cc(Nc4ccc5sc6ccccc6c5c4)ccc3c2)cc1.c1ccc(-c2cccc(Nc3ccc4sc5ccccc5c4c3)c2)cc1.c1ccc2c(-c3ccc(Nc4ccc5sc6ccccc6c5c4)cc3)cccc2c1
InChIInChI=1S/C30H21NS.2C28H19NS.C24H17NS/c1-3-10-21(11-4-1)23-18-24(22-12-5-2-6-13-22)20-25(19-23)31-27-15-9-17-29-30(27)26-14-7-8-16-28(26)32-29;1-2-8-23-19(6-1)7-5-10-24(23)20-12-14-21(15-13-20)29-22-16-17-28-26(18-22)25-9-3-4-11-27(25)30-28;1-2-6-19(7-3-1)20-10-11-22-17-23(13-12-21(22)16-20)29-24-14-15-28-26(18-24)25-8-4-5-9-27(25)30-28;1-2-7-17(8-3-1)18-9-6-10-19(15-18)25-20-13-14-24-22(16-20)21-11-4-5-12-23(21)26-24/h1-20,31H;2*1-18,29H;1-16,25H
InChIKeyJHIIMPKWLAFUEO-UHFFFAOYSA-N
XLogP33.83
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001582.11
LogP ≤ 533.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
8-(3,5-diphenylphenyl)-N-(3-naphthalen-1-yl-5-phenylphenyl)dibenzothiophen-2-amine
CID 118683821
N-(7-phenylnaphthalen-2-yl)dibenzothiophen-1-amine
CID 168799176
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
N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-1-amine
CID 177113902
N-(3-dibenzothiophen-1-ylphenyl)naphthalen-2-amine
CID 169073524
N-dibenzofuran-2-yldibenzofuran-3-amine;N-naphthalen-1-yldibenzothiophen-3-amine;N-phenyldibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 157309066
3-N-dibenzothiophen-2-yl-1-N,5-diphenylbenzene-1,3-diamine
CID 139380088
2-dibenzothiophen-2-yl-N-[3-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]aniline
CID 170181035
N-(3-dibenzothiophen-2-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 163448501
N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzothiol-9-amine
CID 118616822
1,1'-biphenyl;4-naphthalen-2-yl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline
CID 142405945

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(Nc3cccc4sc5ccccc5c34)cc(-c3ccccc3)c2)cc1.c1ccc(-c2ccc3cc(Nc4ccc5sc6ccccc6c5c4)ccc3c2)cc1.c1ccc(-c2cccc(Nc3ccc4sc5ccccc5c4c3)c2)cc1.c1ccc2c(-c3ccc(Nc4ccc5sc6ccccc6c5c4)cc3)cccc2c1.
What is the InChIKey of 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?
The InChIKey is JHIIMPKWLAFUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21NS.2C28H19NS.C24H17NS/c1-3-10-21(11-4-1)23-18-24(22-12-5-2-6-13-22)20-25(19-23)31-27-15-9-17-29-30(27)26-14-7-8-16-28(26)32-29;1-2-8-23-19(6-1)7-5-10-24(23)20-12-14-21(15-13-20)29-22-16-17-28-26(18-22)25-9-3-4-11-27(25)30-28;1-2-6-19(7-3-1)20-10-11-22-17-23(13-12-21(22)16-20)29-24-14-15-28-26(18-24)25-8-4-5-9-27(25)30-28;1-2-7-17(8-3-1)18-9-6-10-19(15-18)25-20-13-14-24-22(16-20)21-11-4-5-12-23(21)26-24/h1-20,31H;2*1-18,29H;1-16,25H.
What are the key properties of 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?
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 has a molecular weight of 1582.11 g/mol, XLogP of 33.83, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158916839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).