4-bromo-N-(4-fluorophenyl)-N-phenyldibenzothiophen-2-amine

C24H15BrFNS — CID 153498058

IUPAC4-bromo-N-(4-fluorophenyl)-N-phenyldibenzothiophen-2-amine
SMILESFc1ccc(N(c2ccccc2)c2cc(Br)c3sc4ccccc4c3c2)cc1
InChIInChI=1S/C24H15BrFNS/c25-22-15-19(14-21-20-8-4-5-9-23(20)28-24(21)22)27(17-6-2-1-3-7-17)18-12-10-16(26)11-13-18/h1-15H
InChIKeyPYQSUUDGQWDXDU-UHFFFAOYSA-N
MW448.36 g/mol
LogP8.43
Rot. Bonds3

About 4-bromo-N-(4-fluorophenyl)-N-phenyldibenzothiophen-2-amine

4-bromo-N-(4-fluorophenyl)-N-phenyldibenzothiophen-2-amine (PubChem CID 153498058) has the molecular formula C24H15BrFNS and a molecular weight of 448.36 g/mol. Its IUPAC name is 4-bromo-N-(4-fluorophenyl)-N-phenyldibenzothiophen-2-amine.

Molecular Properties

Compound Name4-bromo-N-(4-fluorophenyl)-N-phenyldibenzothiophen-2-amine
PubChem CID153498058
Molecular FormulaC24H15BrFNS
Molecular Weight448.36 g/mol
Exact Mass447.01
IUPAC Name4-bromo-N-(4-fluorophenyl)-N-phenyldibenzothiophen-2-amine
SMILESFc1ccc(N(c2ccccc2)c2cc(Br)c3sc4ccccc4c3c2)cc1
InChIInChI=1S/C24H15BrFNS/c25-22-15-19(14-21-20-8-4-5-9-23(20)28-24(21)22)27(17-6-2-1-3-7-17)18-12-10-16(26)11-13-18/h1-15H
InChIKeyPYQSUUDGQWDXDU-UHFFFAOYSA-N
XLogP8.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.36
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(3-methylphenyl)-N-phenyldibenzothiophen-2-amine
CID 153498002
8-bromo-N,N-diphenylnaphtho[2,1-b][1]benzothiol-10-amine
CID 153498004
2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine
CID 121327989
N,N-diphenyl-10,17-dithia-29-azaoctacyclo[24.2.1.03,11.04,9.012,28.015,27.016,24.018,23]nonacosa-1(28),2,4(9),5,7,11,13,15,18,20,22,24,26-tridecaen-6-amine
CID 130381952
N,N-diphenyl-28-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.029,34]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),29,31,33,36-octadecaen-5-amine
CID 130464973
3-N,3-N,8-N,8-N-tetraphenyl-[1]benzothiolo[3,2-b][1]benzothiole-3,8-diamine
CID 130303970
4-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-2-amine
CID 169280619
4-[2-[2-(N-(3,4-diphenylphenyl)anilino)dibenzothiophen-4-yl]phenyl]-N,N-diphenyldibenzothiophen-2-amine
CID 146638320
5-bromo-3-N,3-N-bis(4-dibenzothiophen-4-ylphenyl)-1-N,1-N-diphenylbenzene-1,3-diamine
CID 134471589
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
2-N,7-N-di(dibenzothiophen-2-yl)-7-N-dibenzothiophen-3-yl-2-N-phenyldibenzothiophene-2,7-diamine
CID 130327123
N,4-diphenyl-N-[4-(2-phenyldibenzothiophen-4-yl)phenyl]aniline
CID 140919502

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-fluorophenyl)-N-phenyldibenzothiophen-2-amine?
The IUPAC name of 4-bromo-N-(4-fluorophenyl)-N-phenyldibenzothiophen-2-amine (CID 153498058) is 4-bromo-N-(4-fluorophenyl)-N-phenyldibenzothiophen-2-amine.
What is the SMILES notation for 4-bromo-N-(4-fluorophenyl)-N-phenyldibenzothiophen-2-amine?
The canonical SMILES for 4-bromo-N-(4-fluorophenyl)-N-phenyldibenzothiophen-2-amine is Fc1ccc(N(c2ccccc2)c2cc(Br)c3sc4ccccc4c3c2)cc1.
What is the InChIKey of 4-bromo-N-(4-fluorophenyl)-N-phenyldibenzothiophen-2-amine?
The InChIKey is PYQSUUDGQWDXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BrFNS/c25-22-15-19(14-21-20-8-4-5-9-23(20)28-24(21)22)27(17-6-2-1-3-7-17)18-12-10-16(26)11-13-18/h1-15H.
What are the key properties of 4-bromo-N-(4-fluorophenyl)-N-phenyldibenzothiophen-2-amine?
4-bromo-N-(4-fluorophenyl)-N-phenyldibenzothiophen-2-amine has a molecular weight of 448.36 g/mol, XLogP of 8.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-fluorophenyl)-N-phenyldibenzothiophen-2-amine is sourced from PubChem (CID 153498058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).