4-N-dibenzothiophen-2-yl-4-N-phenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,4-diamine

C54H36N2OS — CID 170043743

IUPAC4-N-dibenzothiophen-2-yl-4-N-phenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,4-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)c4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C54H36N2OS/c1-4-14-37(15-5-1)39-24-28-42(29-25-39)55(43-30-26-40(27-31-43)38-16-6-2-7-17-38)48-33-34-49(54-53(48)46-21-10-12-22-50(46)57-54)56(41-18-8-3-9-19-41)44-32-35-52-47(36-44)45-20-11-13-23-51(45)58-52/h1-36H
InChIKeyQSXGLKQMAKRDGS-UHFFFAOYSA-N
MW760.96 g/mol
LogP16.23
Rot. Bonds8

About 4-N-dibenzothiophen-2-yl-4-N-phenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,4-diamine

4-N-dibenzothiophen-2-yl-4-N-phenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,4-diamine (PubChem CID 170043743) has the molecular formula C54H36N2OS and a molecular weight of 760.96 g/mol. Its IUPAC name is 4-N-dibenzothiophen-2-yl-4-N-phenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,4-diamine.

Molecular Properties

Compound Name4-N-dibenzothiophen-2-yl-4-N-phenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,4-diamine
PubChem CID170043743
Molecular FormulaC54H36N2OS
Molecular Weight760.96 g/mol
Exact Mass760.25
IUPAC Name4-N-dibenzothiophen-2-yl-4-N-phenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,4-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)c4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C54H36N2OS/c1-4-14-37(15-5-1)39-24-28-42(29-25-39)55(43-30-26-40(27-31-43)38-16-6-2-7-17-38)48-33-34-49(54-53(48)46-21-10-12-22-50(46)57-54)56(41-18-8-3-9-19-41)44-32-35-52-47(36-44)45-20-11-13-23-51(45)58-52/h1-36H
InChIKeyQSXGLKQMAKRDGS-UHFFFAOYSA-N
XLogP16.23
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.96
LogP ≤ 516.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzothiophen-2-yl-1-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 171435354
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-6-amine
CID 170032563
N-dibenzothiophen-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-1-amine
CID 168804753
N-(4-dibenzothiophen-2-ylphenyl)-1-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 171434776
N-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820649
N-dibenzothiophen-2-yl-N-phenyl-1-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzofuran-4-amine
CID 169048376
N-dibenzothiophen-3-yl-4-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069315
N,N-bis(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine
CID 161198393
4-(3-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176608773
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129119904
N-(4-dibenzothiophen-3-ylphenyl)-1-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 171435491
N-dibenzothiophen-2-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-(4-triphenylen-2-ylphenyl)dibenzofuran-4-amine
CID 163977940

Frequently Asked Questions

What is the IUPAC name of 4-N-dibenzothiophen-2-yl-4-N-phenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,4-diamine?
The IUPAC name of 4-N-dibenzothiophen-2-yl-4-N-phenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,4-diamine (CID 170043743) is 4-N-dibenzothiophen-2-yl-4-N-phenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,4-diamine.
What is the SMILES notation for 4-N-dibenzothiophen-2-yl-4-N-phenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,4-diamine?
The canonical SMILES for 4-N-dibenzothiophen-2-yl-4-N-phenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,4-diamine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)c4oc5ccccc5c34)cc2)cc1.
What is the InChIKey of 4-N-dibenzothiophen-2-yl-4-N-phenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,4-diamine?
The InChIKey is QSXGLKQMAKRDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2OS/c1-4-14-37(15-5-1)39-24-28-42(29-25-39)55(43-30-26-40(27-31-43)38-16-6-2-7-17-38)48-33-34-49(54-53(48)46-21-10-12-22-50(46)57-54)56(41-18-8-3-9-19-41)44-32-35-52-47(36-44)45-20-11-13-23-51(45)58-52/h1-36H.
What are the key properties of 4-N-dibenzothiophen-2-yl-4-N-phenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,4-diamine?
4-N-dibenzothiophen-2-yl-4-N-phenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,4-diamine has a molecular weight of 760.96 g/mol, XLogP of 16.23, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-dibenzothiophen-2-yl-4-N-phenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,4-diamine is sourced from PubChem (CID 170043743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).