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

C100H70N4S4 — CID 164973575

IUPACN-(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
SMILESc1ccc(-c2ccc(Nc3ccc4c(c3)sc3ccccc34)cc2)cc1.c1ccc(-c2ccc(Nc3ccc4sc5ccccc5c4c3)cc2)cc1.c1ccc(-c2cccc(Nc3ccc4sc5ccccc5c4c3)c2)cc1.c1ccc2c(-c3ccc(Nc4ccc5sc6ccccc6c5c4)cc3)cccc2c1
InChIInChI=1S/C28H19NS.3C24H17NS/c1-2-8-23-19(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;1-2-7-17(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;1-2-6-17(7-3-1)18-10-12-19(13-11-18)25-20-14-15-24-22(16-20)21-8-4-5-9-23(21)26-24;1-2-6-17(7-3-1)18-10-12-19(13-11-18)25-20-14-15-22-21-8-4-5-9-23(21)26-24(22)16-20/h1-18,29H;3*1-16,25H
InChIKeyDLNJYJXITNBTFW-UHFFFAOYSA-N
MW1455.96 g/mol
LogP31.01
Rot. Bonds12

About 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

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 (PubChem CID 164973575) has the molecular formula C100H70N4S4 and a molecular weight of 1455.96 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID164973575
Molecular FormulaC100H70N4S4
Molecular Weight1455.96 g/mol
Exact Mass1454.45
IUPAC NameN-(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
SMILESc1ccc(-c2ccc(Nc3ccc4c(c3)sc3ccccc34)cc2)cc1.c1ccc(-c2ccc(Nc3ccc4sc5ccccc5c4c3)cc2)cc1.c1ccc(-c2cccc(Nc3ccc4sc5ccccc5c4c3)c2)cc1.c1ccc2c(-c3ccc(Nc4ccc5sc6ccccc6c5c4)cc3)cccc2c1
InChIInChI=1S/C28H19NS.3C24H17NS/c1-2-8-23-19(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;1-2-7-17(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;1-2-6-17(7-3-1)18-10-12-19(13-11-18)25-20-14-15-24-22(16-20)21-8-4-5-9-23(21)26-24;1-2-6-17(7-3-1)18-10-12-19(13-11-18)25-20-14-15-22-21-8-4-5-9-23(21)26-24(22)16-20/h1-18,29H;3*1-16,25H
InChIKeyDLNJYJXITNBTFW-UHFFFAOYSA-N
XLogP31.01
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001455.96
LogP ≤ 531.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

8-(3,5-diphenylphenyl)-N-(3-naphthalen-1-yl-5-phenylphenyl)dibenzothiophen-2-amine
CID 118683821
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
3-N-dibenzothiophen-2-yl-1-N,5-diphenylbenzene-1,3-diamine
CID 139380088
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-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
2-dibenzothiophen-2-yl-N-[3-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]aniline
CID 170181035
N,9-diphenyldibenzothiophen-2-amine
CID 139422574
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-(3-naphthalen-1-ylphenyl)-1-N-phenylbenzene-1,3-diamine
CID 139380119
N-phenyl-8-[3-(N-phenylanilino)phenyl]dibenzothiophen-3-amine
CID 131980060
N-(3-dibenzothiophen-2-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 163448501

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(Nc3ccc4c(c3)sc3ccccc34)cc2)cc1.c1ccc(-c2ccc(Nc3ccc4sc5ccccc5c4c3)cc2)cc1.c1ccc(-c2cccc(Nc3ccc4sc5ccccc5c4c3)c2)cc1.c1ccc2c(-c3ccc(Nc4ccc5sc6ccccc6c5c4)cc3)cccc2c1.
What is the InChIKey of 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?
The InChIKey is DLNJYJXITNBTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19NS.3C24H17NS/c1-2-8-23-19(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;1-2-7-17(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;1-2-6-17(7-3-1)18-10-12-19(13-11-18)25-20-14-15-24-22(16-20)21-8-4-5-9-23(21)26-24;1-2-6-17(7-3-1)18-10-12-19(13-11-18)25-20-14-15-22-21-8-4-5-9-23(21)26-24(22)16-20/h1-18,29H;3*1-16,25H.
What are the key properties of 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?
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 has a molecular weight of 1455.96 g/mol, XLogP of 31.01, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164973575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).