4-bromo-N-dibenzothiophen-4-yl-N-phenyldibenzothiophen-2-amine;4-bromo-N,N-dinaphthalen-2-yl-6-phenyldibenzothiophen-2-amine;4-bromo-N-(4-methylphenyl)-N-phenyldibenzothiophen-2-amine

C93H60Br3N3S4 — CID 157181431

IUPAC4-bromo-N-dibenzothiophen-4-yl-N-phenyldibenzothiophen-2-amine;4-bromo-N,N-dinaphthalen-2-yl-6-phenyldibenzothiophen-2-amine;4-bromo-N-(4-methylphenyl)-N-phenyldibenzothiophen-2-amine
SMILESBrc1cc(N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc2c1sc1c(-c3ccccc3)cccc12.Brc1cc(N(c2ccccc2)c2cccc3c2sc2ccccc23)cc2c1sc1ccccc12.Cc1ccc(N(c2ccccc2)c2cc(Br)c3sc4ccccc4c3c2)cc1
InChIInChI=1S/C38H24BrNS.C30H18BrNS2.C25H18BrNS/c39-36-24-32(23-35-34-16-8-15-33(37(34)41-38(35)36)27-11-2-1-3-12-27)40(30-19-17-25-9-4-6-13-28(25)21-30)31-20-18-26-10-5-7-14-29(26)22-31;31-25-18-20(17-24-22-12-5-7-16-28(22)33-29(24)25)32(19-9-2-1-3-10-19)26-14-8-13-23-21-11-4-6-15-27(21)34-30(23)26;1-17-11-13-19(14-12-17)27(18-7-3-2-4-8-18)20-15-22-21-9-5-6-10-24(21)28-25(22)23(26)16-20/h1-24H;1-18H;2-16H,1H3
InChIKeyAOPOFXKZRNOKDO-UHFFFAOYSA-N
MW1587.50 g/mol
LogP31.51
Rot. Bonds10

About 4-bromo-N-dibenzothiophen-4-yl-N-phenyldibenzothiophen-2-amine;4-bromo-N,N-dinaphthalen-2-yl-6-phenyldibenzothiophen-2-amine;4-bromo-N-(4-methylphenyl)-N-phenyldibenzothiophen-2-amine

4-bromo-N-dibenzothiophen-4-yl-N-phenyldibenzothiophen-2-amine;4-bromo-N,N-dinaphthalen-2-yl-6-phenyldibenzothiophen-2-amine;4-bromo-N-(4-methylphenyl)-N-phenyldibenzothiophen-2-amine (PubChem CID 157181431) has the molecular formula C93H60Br3N3S4 and a molecular weight of 1587.50 g/mol. Its IUPAC name is 4-bromo-N-dibenzothiophen-4-yl-N-phenyldibenzothiophen-2-amine;4-bromo-N,N-dinaphthalen-2-yl-6-phenyldibenzothiophen-2-amine;4-bromo-N-(4-methylphenyl)-N-phenyldibenzothiophen-2-amine.

Molecular Properties

Compound Name4-bromo-N-dibenzothiophen-4-yl-N-phenyldibenzothiophen-2-amine;4-bromo-N,N-dinaphthalen-2-yl-6-phenyldibenzothiophen-2-amine;4-bromo-N-(4-methylphenyl)-N-phenyldibenzothiophen-2-amine
PubChem CID157181431
Molecular FormulaC93H60Br3N3S4
Molecular Weight1587.50 g/mol
Exact Mass1583.12
IUPAC Name4-bromo-N-dibenzothiophen-4-yl-N-phenyldibenzothiophen-2-amine;4-bromo-N,N-dinaphthalen-2-yl-6-phenyldibenzothiophen-2-amine;4-bromo-N-(4-methylphenyl)-N-phenyldibenzothiophen-2-amine
SMILESBrc1cc(N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc2c1sc1c(-c3ccccc3)cccc12.Brc1cc(N(c2ccccc2)c2cccc3c2sc2ccccc23)cc2c1sc1ccccc12.Cc1ccc(N(c2ccccc2)c2cc(Br)c3sc4ccccc4c3c2)cc1
InChIInChI=1S/C38H24BrNS.C30H18BrNS2.C25H18BrNS/c39-36-24-32(23-35-34-16-8-15-33(37(34)41-38(35)36)27-11-2-1-3-12-27)40(30-19-17-25-9-4-6-13-28(25)21-30)31-20-18-26-10-5-7-14-29(26)22-31;31-25-18-20(17-24-22-12-5-7-16-28(22)33-29(24)25)32(19-9-2-1-3-10-19)26-14-8-13-23-21-11-4-6-15-27(21)34-30(23)26;1-17-11-13-19(14-12-17)27(18-7-3-2-4-8-18)20-15-22-21-9-5-6-10-24(21)28-25(22)23(26)16-20/h1-24H;1-18H;2-16H,1H3
InChIKeyAOPOFXKZRNOKDO-UHFFFAOYSA-N
XLogP31.51
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001587.50
LogP ≤ 531.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-bromo-N-dibenzothiophen-4-yl-N-phenyldibenzothiophen-2-amine;4-bromo-N,N-dinaphthalen-2-yl-6-phenyldibenzothiophen-2-amine;4-bromo-N-(4-methylphenyl)-N-phenyldibenzothiophen-2-amine with MolForge

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Related Compounds

8-dibenzothiophen-4-yl-2-N,4-N-dinaphthalen-2-yl-2-N,4-N-diphenyldibenzothiophene-2,4-diamine
CID 153311677
5-N-(4-dibenzothiophen-4-ylphenyl)-5-N-naphthalen-2-yl-1-N,3-N-bis(3-phenylphenyl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118604879
4-[3,5-di(dibenzothiophen-4-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 158103860
N-(4-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167397362
N-(3-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167396570
N-[3-[3-[dibenzothiophen-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167086636
N-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 167396867
N-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzothiophen-4-amine
CID 167397512
N-dibenzothiophen-2-yl-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167396719
N-[2-[3-[N-(3-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-4-amine
CID 167087052
N-[2-[2-[N-(3-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-4-amine
CID 167086407
2-[3-(N-(4-dibenzothiophen-4-ylphenyl)anilino)phenyl]-N,N-diphenylaniline
CID 167086686

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-dibenzothiophen-4-yl-N-phenyldibenzothiophen-2-amine;4-bromo-N,N-dinaphthalen-2-yl-6-phenyldibenzothiophen-2-amine;4-bromo-N-(4-methylphenyl)-N-phenyldibenzothiophen-2-amine?
The IUPAC name of 4-bromo-N-dibenzothiophen-4-yl-N-phenyldibenzothiophen-2-amine;4-bromo-N,N-dinaphthalen-2-yl-6-phenyldibenzothiophen-2-amine;4-bromo-N-(4-methylphenyl)-N-phenyldibenzothiophen-2-amine (CID 157181431) is 4-bromo-N-dibenzothiophen-4-yl-N-phenyldibenzothiophen-2-amine;4-bromo-N,N-dinaphthalen-2-yl-6-phenyldibenzothiophen-2-amine;4-bromo-N-(4-methylphenyl)-N-phenyldibenzothiophen-2-amine.
What is the SMILES notation for 4-bromo-N-dibenzothiophen-4-yl-N-phenyldibenzothiophen-2-amine;4-bromo-N,N-dinaphthalen-2-yl-6-phenyldibenzothiophen-2-amine;4-bromo-N-(4-methylphenyl)-N-phenyldibenzothiophen-2-amine?
The canonical SMILES for 4-bromo-N-dibenzothiophen-4-yl-N-phenyldibenzothiophen-2-amine;4-bromo-N,N-dinaphthalen-2-yl-6-phenyldibenzothiophen-2-amine;4-bromo-N-(4-methylphenyl)-N-phenyldibenzothiophen-2-amine is Brc1cc(N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc2c1sc1c(-c3ccccc3)cccc12.Brc1cc(N(c2ccccc2)c2cccc3c2sc2ccccc23)cc2c1sc1ccccc12.Cc1ccc(N(c2ccccc2)c2cc(Br)c3sc4ccccc4c3c2)cc1.
What is the InChIKey of 4-bromo-N-dibenzothiophen-4-yl-N-phenyldibenzothiophen-2-amine;4-bromo-N,N-dinaphthalen-2-yl-6-phenyldibenzothiophen-2-amine;4-bromo-N-(4-methylphenyl)-N-phenyldibenzothiophen-2-amine?
The InChIKey is AOPOFXKZRNOKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24BrNS.C30H18BrNS2.C25H18BrNS/c39-36-24-32(23-35-34-16-8-15-33(37(34)41-38(35)36)27-11-2-1-3-12-27)40(30-19-17-25-9-4-6-13-28(25)21-30)31-20-18-26-10-5-7-14-29(26)22-31;31-25-18-20(17-24-22-12-5-7-16-28(22)33-29(24)25)32(19-9-2-1-3-10-19)26-14-8-13-23-21-11-4-6-15-27(21)34-30(23)26;1-17-11-13-19(14-12-17)27(18-7-3-2-4-8-18)20-15-22-21-9-5-6-10-24(21)28-25(22)23(26)16-20/h1-24H;1-18H;2-16H,1H3.
What are the key properties of 4-bromo-N-dibenzothiophen-4-yl-N-phenyldibenzothiophen-2-amine;4-bromo-N,N-dinaphthalen-2-yl-6-phenyldibenzothiophen-2-amine;4-bromo-N-(4-methylphenyl)-N-phenyldibenzothiophen-2-amine?
4-bromo-N-dibenzothiophen-4-yl-N-phenyldibenzothiophen-2-amine;4-bromo-N,N-dinaphthalen-2-yl-6-phenyldibenzothiophen-2-amine;4-bromo-N-(4-methylphenyl)-N-phenyldibenzothiophen-2-amine has a molecular weight of 1587.50 g/mol, XLogP of 31.51, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-dibenzothiophen-4-yl-N-phenyldibenzothiophen-2-amine;4-bromo-N,N-dinaphthalen-2-yl-6-phenyldibenzothiophen-2-amine;4-bromo-N-(4-methylphenyl)-N-phenyldibenzothiophen-2-amine is sourced from PubChem (CID 157181431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).