2-bromo-N-dibenzothiophen-2-yl-N-phenyldibenzofuran-4-amine

C30H18BrNOS — CID 122462886

IUPAC2-bromo-N-dibenzothiophen-2-yl-N-phenyldibenzofuran-4-amine
SMILESBrc1cc(N(c2ccccc2)c2ccc3sc4ccccc4c3c2)c2oc3ccccc3c2c1
InChIInChI=1S/C30H18BrNOS/c31-19-16-25-22-10-4-6-12-27(22)33-30(25)26(17-19)32(20-8-2-1-3-9-20)21-14-15-29-24(18-21)23-11-5-7-13-28(23)34-29/h1-18H
InChIKeyKDEYXHXDMUNXPO-UHFFFAOYSA-N
MW520.45 g/mol
LogP10.19
Rot. Bonds3

About 2-bromo-N-dibenzothiophen-2-yl-N-phenyldibenzofuran-4-amine

2-bromo-N-dibenzothiophen-2-yl-N-phenyldibenzofuran-4-amine (PubChem CID 122462886) has the molecular formula C30H18BrNOS and a molecular weight of 520.45 g/mol. Its IUPAC name is 2-bromo-N-dibenzothiophen-2-yl-N-phenyldibenzofuran-4-amine.

Molecular Properties

Compound Name2-bromo-N-dibenzothiophen-2-yl-N-phenyldibenzofuran-4-amine
PubChem CID122462886
Molecular FormulaC30H18BrNOS
Molecular Weight520.45 g/mol
Exact Mass519.03
IUPAC Name2-bromo-N-dibenzothiophen-2-yl-N-phenyldibenzofuran-4-amine
SMILESBrc1cc(N(c2ccccc2)c2ccc3sc4ccccc4c3c2)c2oc3ccccc3c2c1
InChIInChI=1S/C30H18BrNOS/c31-19-16-25-22-10-4-6-12-27(22)33-30(25)26(17-19)32(20-8-2-1-3-9-20)21-14-15-29-24(18-21)23-11-5-7-13-28(23)34-29/h1-18H
InChIKeyKDEYXHXDMUNXPO-UHFFFAOYSA-N
XLogP10.19
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.45
LogP ≤ 510.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N,N-di(dibenzothiophen-2-yl)dibenzofuran-4-amine;buta-1,3-diene;ethane
CID 145129775
N-dibenzothiophen-2-yl-2-[dibenzothiophen-2-yl-(4-phenylphenyl)methyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 138747013
4-N-dibenzothiophen-2-yl-4-N-phenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,4-diamine
CID 170043743
3-N-dibenzofuran-2-yl-3-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 134198268
4-N,4-N-diphenyl-2-N-[2-(N-phenylanilino)dibenzothiophen-4-yl]-2-N-(4-phenylphenyl)dibenzofuran-2,4-diamine
CID 146550866
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-6-amine
CID 170032563
2-N-dibenzothiophen-1-yl-2-N-phenyl-4-N,4-N-bis(4-phenylphenyl)dibenzofuran-2,4-diamine
CID 170044035
7-N-dibenzofuran-2-yl-19-N-dibenzothiophen-2-yl-7-N,19-N-diphenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine
CID 146694397
6-N-dibenzofuran-2-yl-10-N-dibenzothiophen-3-yl-6-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-6,10-diamine
CID 167208628
N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-19-yl)-N-triphenylen-2-yldibenzofuran-4-amine
CID 146494934
4-N,6-N-diphenyl-4-N-[8-(N-phenylanilino)dibenzofuran-2-yl]-6-N-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzofuran-4,6-diamine
CID 145264520
3-N-dibenzofuran-3-yl-1-N-dibenzothiophen-2-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine;3-N-dibenzothiophen-2-yl-1-N-dibenzothiophen-3-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine
CID 160969253

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-dibenzothiophen-2-yl-N-phenyldibenzofuran-4-amine?
The IUPAC name of 2-bromo-N-dibenzothiophen-2-yl-N-phenyldibenzofuran-4-amine (CID 122462886) is 2-bromo-N-dibenzothiophen-2-yl-N-phenyldibenzofuran-4-amine.
What is the SMILES notation for 2-bromo-N-dibenzothiophen-2-yl-N-phenyldibenzofuran-4-amine?
The canonical SMILES for 2-bromo-N-dibenzothiophen-2-yl-N-phenyldibenzofuran-4-amine is Brc1cc(N(c2ccccc2)c2ccc3sc4ccccc4c3c2)c2oc3ccccc3c2c1.
What is the InChIKey of 2-bromo-N-dibenzothiophen-2-yl-N-phenyldibenzofuran-4-amine?
The InChIKey is KDEYXHXDMUNXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18BrNOS/c31-19-16-25-22-10-4-6-12-27(22)33-30(25)26(17-19)32(20-8-2-1-3-9-20)21-14-15-29-24(18-21)23-11-5-7-13-28(23)34-29/h1-18H.
What are the key properties of 2-bromo-N-dibenzothiophen-2-yl-N-phenyldibenzofuran-4-amine?
2-bromo-N-dibenzothiophen-2-yl-N-phenyldibenzofuran-4-amine has a molecular weight of 520.45 g/mol, XLogP of 10.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-dibenzothiophen-2-yl-N-phenyldibenzofuran-4-amine is sourced from PubChem (CID 122462886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).