4-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline;4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline

C108H66N2OS5 — CID 157275659

IUPAC4-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline;4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline
SMILESc1ccc2c(c1)oc1ccc(-c3ccc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)cc12.c1ccc2c(c1)sc1ccc(-c3ccc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)cc12
InChIInChI=1S/C54H33NOS2.C54H33NS3/c1-4-10-49-43(7-1)46-31-37(19-28-50(46)56-49)34-13-22-40(23-14-34)55(41-24-15-35(16-25-41)38-20-29-53-47(32-38)44-8-2-5-11-51(44)57-53)42-26-17-36(18-27-42)39-21-30-54-48(33-39)45-9-3-6-12-52(45)58-54;1-4-10-49-43(7-1)46-31-37(19-28-52(46)56-49)34-13-22-40(23-14-34)55(41-24-15-35(16-25-41)38-20-29-53-47(32-38)44-8-2-5-11-50(44)57-53)42-26-17-36(18-27-42)39-21-30-54-48(33-39)45-9-3-6-12-51(45)58-54/h2*1-33H
InChIKeyAZBJKBGKEZCOLP-UHFFFAOYSA-N
MW1568.06 g/mol
LogP34.05
Rot. Bonds12

About 4-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline;4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline

4-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline;4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline (PubChem CID 157275659) has the molecular formula C108H66N2OS5 and a molecular weight of 1568.06 g/mol. Its IUPAC name is 4-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline;4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline.

Molecular Properties

Compound Name4-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline;4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline
PubChem CID157275659
Molecular FormulaC108H66N2OS5
Molecular Weight1568.06 g/mol
Exact Mass1566.38
IUPAC Name4-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline;4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline
SMILESc1ccc2c(c1)oc1ccc(-c3ccc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)cc12.c1ccc2c(c1)sc1ccc(-c3ccc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)cc12
InChIInChI=1S/C54H33NOS2.C54H33NS3/c1-4-10-49-43(7-1)46-31-37(19-28-50(46)56-49)34-13-22-40(23-14-34)55(41-24-15-35(16-25-41)38-20-29-53-47(32-38)44-8-2-5-11-51(44)57-53)42-26-17-36(18-27-42)39-21-30-54-48(33-39)45-9-3-6-12-52(45)58-54;1-4-10-49-43(7-1)46-31-37(19-28-52(46)56-49)34-13-22-40(23-14-34)55(41-24-15-35(16-25-41)38-20-29-53-47(32-38)44-8-2-5-11-50(44)57-53)42-26-17-36(18-27-42)39-21-30-54-48(33-39)45-9-3-6-12-51(45)58-54/h2*1-33H
InChIKeyAZBJKBGKEZCOLP-UHFFFAOYSA-N
XLogP34.05
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001568.06
LogP ≤ 534.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline;4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline with MolForge

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Related Compounds

5-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine
CID 121383373
2-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)dibenzofuran
CID 137466525
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085217
7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 161416288
4-[4-(N-[4-(8-dibenzofuran-3-yldibenzothiophen-2-yl)phenyl]anilino)phenyl]-N,N-diphenylaniline
CID 90076231
N,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline
CID 58510590
N-dibenzothiophen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)dibenzothiophen-3-amine
CID 170031847
N-[4-(2-dibenzofuran-2-yldibenzothiophen-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 135277469
5-[7-[dibenzofuran-2-yl(dibenzothiophen-2-yl)amino]dibenzofuran-2-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 146588601
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-dibenzothiophen-2-ylaniline
CID 118428237
N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 118428274
2-[3-[3-[3-[3-[3-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]dibenzofuran
CID 90265513

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline;4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline?
The IUPAC name of 4-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline;4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline (CID 157275659) is 4-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline;4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline.
What is the SMILES notation for 4-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline;4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline?
The canonical SMILES for 4-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline;4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline is c1ccc2c(c1)oc1ccc(-c3ccc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)cc12.c1ccc2c(c1)sc1ccc(-c3ccc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)cc12.
What is the InChIKey of 4-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline;4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline?
The InChIKey is AZBJKBGKEZCOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33NOS2.C54H33NS3/c1-4-10-49-43(7-1)46-31-37(19-28-50(46)56-49)34-13-22-40(23-14-34)55(41-24-15-35(16-25-41)38-20-29-53-47(32-38)44-8-2-5-11-51(44)57-53)42-26-17-36(18-27-42)39-21-30-54-48(33-39)45-9-3-6-12-52(45)58-54;1-4-10-49-43(7-1)46-31-37(19-28-52(46)56-49)34-13-22-40(23-14-34)55(41-24-15-35(16-25-41)38-20-29-53-47(32-38)44-8-2-5-11-50(44)57-53)42-26-17-36(18-27-42)39-21-30-54-48(33-39)45-9-3-6-12-51(45)58-54/h2*1-33H.
What are the key properties of 4-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline;4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline?
4-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline;4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline has a molecular weight of 1568.06 g/mol, XLogP of 34.05, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline;4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline is sourced from PubChem (CID 157275659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).