8-bromo-N,N-dinaphthalen-2-yldibenzothiophen-3-amine;8-bromo-N-naphthalen-1-yl-N-phenyldibenzothiophen-3-amine;8-bromo-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine;8-bromo-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine

C124H80Br4N4S4 — CID 158747098

IUPAC8-bromo-N,N-dinaphthalen-2-yldibenzothiophen-3-amine;8-bromo-N-naphthalen-1-yl-N-phenyldibenzothiophen-3-amine;8-bromo-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine;8-bromo-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine
SMILESBrc1ccc2sc3cc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)ccc3c2c1.Brc1ccc2sc3cc(N(c4ccccc4)c4ccc(-c5cccc6ccccc56)cc4)ccc3c2c1.Brc1ccc2sc3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)ccc3c2c1.Brc1ccc2sc3cc(N(c4ccccc4)c4cccc5ccccc45)ccc3c2c1
InChIInChI=1S/C34H22BrNS.C32H20BrNS.C30H20BrNS.C28H18BrNS/c35-25-15-20-33-32(21-25)31-19-18-28(22-34(31)37-33)36(26-9-2-1-3-10-26)27-16-13-24(14-17-27)30-12-6-8-23-7-4-5-11-29(23)30;33-25-11-16-31-30(19-25)29-15-14-28(20-32(29)35-31)34(26-12-9-21-5-1-3-7-23(21)17-26)27-13-10-22-6-2-4-8-24(22)18-27;31-23-13-18-29-28(19-23)27-17-16-26(20-30(27)33-29)32(24-9-5-2-6-10-24)25-14-11-22(12-15-25)21-7-3-1-4-8-21;29-20-13-16-27-25(17-20)24-15-14-22(18-28(24)31-27)30(21-9-2-1-3-10-21)26-12-6-8-19-7-4-5-11-23(19)26/h1-22H;1-20H;1-20H;1-18H
InChIKeyINABRNIWAFPNCE-UHFFFAOYSA-N
MW2073.92 g/mol
LogP41.09
Rot. Bonds14

About 8-bromo-N,N-dinaphthalen-2-yldibenzothiophen-3-amine;8-bromo-N-naphthalen-1-yl-N-phenyldibenzothiophen-3-amine;8-bromo-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine;8-bromo-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine

8-bromo-N,N-dinaphthalen-2-yldibenzothiophen-3-amine;8-bromo-N-naphthalen-1-yl-N-phenyldibenzothiophen-3-amine;8-bromo-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine;8-bromo-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine (PubChem CID 158747098) has the molecular formula C124H80Br4N4S4 and a molecular weight of 2073.92 g/mol. Its IUPAC name is 8-bromo-N,N-dinaphthalen-2-yldibenzothiophen-3-amine;8-bromo-N-naphthalen-1-yl-N-phenyldibenzothiophen-3-amine;8-bromo-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine;8-bromo-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine.

Molecular Properties

Compound Name8-bromo-N,N-dinaphthalen-2-yldibenzothiophen-3-amine;8-bromo-N-naphthalen-1-yl-N-phenyldibenzothiophen-3-amine;8-bromo-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine;8-bromo-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine
PubChem CID158747098
Molecular FormulaC124H80Br4N4S4
Molecular Weight2073.92 g/mol
Exact Mass2068.20
IUPAC Name8-bromo-N,N-dinaphthalen-2-yldibenzothiophen-3-amine;8-bromo-N-naphthalen-1-yl-N-phenyldibenzothiophen-3-amine;8-bromo-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine;8-bromo-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine
SMILESBrc1ccc2sc3cc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)ccc3c2c1.Brc1ccc2sc3cc(N(c4ccccc4)c4ccc(-c5cccc6ccccc56)cc4)ccc3c2c1.Brc1ccc2sc3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)ccc3c2c1.Brc1ccc2sc3cc(N(c4ccccc4)c4cccc5ccccc45)ccc3c2c1
InChIInChI=1S/C34H22BrNS.C32H20BrNS.C30H20BrNS.C28H18BrNS/c35-25-15-20-33-32(21-25)31-19-18-28(22-34(31)37-33)36(26-9-2-1-3-10-26)27-16-13-24(14-17-27)30-12-6-8-23-7-4-5-11-29(23)30;33-25-11-16-31-30(19-25)29-15-14-28(20-32(29)35-31)34(26-12-9-21-5-1-3-7-23(21)17-26)27-13-10-22-6-2-4-8-24(22)18-27;31-23-13-18-29-28(19-23)27-17-16-26(20-30(27)33-29)32(24-9-5-2-6-10-24)25-14-11-22(12-15-25)21-7-3-1-4-8-21;29-20-13-16-27-25(17-20)24-15-14-22(18-28(24)31-27)30(21-9-2-1-3-10-21)26-12-6-8-19-7-4-5-11-23(19)26/h1-22H;1-20H;1-20H;1-18H
InChIKeyINABRNIWAFPNCE-UHFFFAOYSA-N
XLogP41.09
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms136
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002073.92
LogP ≤ 541.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-bromo-N,N-dinaphthalen-2-yldibenzothiophen-3-amine;8-bromo-N-naphthalen-1-yl-N-phenyldibenzothiophen-3-amine;8-bromo-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine;8-bromo-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine with MolForge

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Related Compounds

7-N-dibenzothiophen-3-yl-7-N-[3-(N-naphthalen-2-ylanilino)phenyl]-2-N-phenyl-2-N-(2-phenylphenyl)dibenzothiophene-2,7-diamine
CID 131979897
N-[4-[4-(N-dibenzothiophen-3-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;2-N,8-N-dinaphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 161138976
N,N-bis(3-dibenzothiophen-4-ylphenyl)-3-phenylaniline;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;3-dibenzothiophen-4-yl-N-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;7-dibenzothiophen-4-yl-N-(3-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 161495248
7-N-naphthalen-1-yl-2-N,7-N-diphenyl-2-N-[4-[4-[7-(N-phenylanilino)dibenzothiophen-2-yl]phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 129194290
N-phenyl-N-[4-[6-(N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzothiophen-3-amine
CID 166917554
7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;2-N,7-N-dinaphthalen-2-yl-2-N-phenyl-7-N-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N-[3-(N-phenylanilino)phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 161361054
N-naphthalen-1-yl-N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzothiophen-3-amine
CID 174256598
7-N-naphthalen-1-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 146574134
N,4-diphenyl-N-[4-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]phenyl]aniline;N-[4-[4-[3-(8-naphthalen-1-yldibenzothiophen-2-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-(8-naphthalen-1-yldibenzothiophen-2-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[3-(8-naphthalen-1-yldibenzothiophen-2-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]phenyl]naphthalen-1-amine;4-phenyl-N-[4-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 160840517
N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]naphthalen-2-amine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 159824921
2-N-dibenzothiophen-1-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;2-N-dibenzothiophen-3-yl-2-N-naphthalen-1-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine
CID 159090908
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine
CID 167235827

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N,N-dinaphthalen-2-yldibenzothiophen-3-amine;8-bromo-N-naphthalen-1-yl-N-phenyldibenzothiophen-3-amine;8-bromo-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine;8-bromo-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The IUPAC name of 8-bromo-N,N-dinaphthalen-2-yldibenzothiophen-3-amine;8-bromo-N-naphthalen-1-yl-N-phenyldibenzothiophen-3-amine;8-bromo-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine;8-bromo-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine (CID 158747098) is 8-bromo-N,N-dinaphthalen-2-yldibenzothiophen-3-amine;8-bromo-N-naphthalen-1-yl-N-phenyldibenzothiophen-3-amine;8-bromo-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine;8-bromo-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine.
What is the SMILES notation for 8-bromo-N,N-dinaphthalen-2-yldibenzothiophen-3-amine;8-bromo-N-naphthalen-1-yl-N-phenyldibenzothiophen-3-amine;8-bromo-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine;8-bromo-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The canonical SMILES for 8-bromo-N,N-dinaphthalen-2-yldibenzothiophen-3-amine;8-bromo-N-naphthalen-1-yl-N-phenyldibenzothiophen-3-amine;8-bromo-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine;8-bromo-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine is Brc1ccc2sc3cc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)ccc3c2c1.Brc1ccc2sc3cc(N(c4ccccc4)c4ccc(-c5cccc6ccccc56)cc4)ccc3c2c1.Brc1ccc2sc3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)ccc3c2c1.Brc1ccc2sc3cc(N(c4ccccc4)c4cccc5ccccc45)ccc3c2c1.
What is the InChIKey of 8-bromo-N,N-dinaphthalen-2-yldibenzothiophen-3-amine;8-bromo-N-naphthalen-1-yl-N-phenyldibenzothiophen-3-amine;8-bromo-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine;8-bromo-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The InChIKey is INABRNIWAFPNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22BrNS.C32H20BrNS.C30H20BrNS.C28H18BrNS/c35-25-15-20-33-32(21-25)31-19-18-28(22-34(31)37-33)36(26-9-2-1-3-10-26)27-16-13-24(14-17-27)30-12-6-8-23-7-4-5-11-29(23)30;33-25-11-16-31-30(19-25)29-15-14-28(20-32(29)35-31)34(26-12-9-21-5-1-3-7-23(21)17-26)27-13-10-22-6-2-4-8-24(22)18-27;31-23-13-18-29-28(19-23)27-17-16-26(20-30(27)33-29)32(24-9-5-2-6-10-24)25-14-11-22(12-15-25)21-7-3-1-4-8-21;29-20-13-16-27-25(17-20)24-15-14-22(18-28(24)31-27)30(21-9-2-1-3-10-21)26-12-6-8-19-7-4-5-11-23(19)26/h1-22H;1-20H;1-20H;1-18H.
What are the key properties of 8-bromo-N,N-dinaphthalen-2-yldibenzothiophen-3-amine;8-bromo-N-naphthalen-1-yl-N-phenyldibenzothiophen-3-amine;8-bromo-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine;8-bromo-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine?
8-bromo-N,N-dinaphthalen-2-yldibenzothiophen-3-amine;8-bromo-N-naphthalen-1-yl-N-phenyldibenzothiophen-3-amine;8-bromo-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine;8-bromo-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine has a molecular weight of 2073.92 g/mol, XLogP of 41.09, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N,N-dinaphthalen-2-yldibenzothiophen-3-amine;8-bromo-N-naphthalen-1-yl-N-phenyldibenzothiophen-3-amine;8-bromo-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine;8-bromo-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 158747098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).