N-[4-(2-dibenzofuran-2-yldibenzothiophen-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C54H35NOS — CID 135277469

IUPACN-[4-(2-dibenzofuran-2-yldibenzothiophen-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5sc6ccccc6c5cc4-c4ccc5oc6ccccc6c5c4)cc3)cc2)cc1
InChIInChI=1S/C54H35NOS/c1-3-11-36(12-4-1)38-19-26-42(27-20-38)55(43-28-21-39(22-29-43)37-13-5-2-6-14-37)44-30-23-40(24-31-44)48-35-54-50(46-16-8-10-18-53(46)57-54)34-47(48)41-25-32-52-49(33-41)45-15-7-9-17-51(45)56-52/h1-35H
InChIKeyVZURAMZCLBXEOG-UHFFFAOYSA-N
MW745.95 g/mol
LogP16.09
Rot. Bonds7

About N-[4-(2-dibenzofuran-2-yldibenzothiophen-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-(2-dibenzofuran-2-yldibenzothiophen-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 135277469) has the molecular formula C54H35NOS and a molecular weight of 745.95 g/mol. Its IUPAC name is N-[4-(2-dibenzofuran-2-yldibenzothiophen-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(2-dibenzofuran-2-yldibenzothiophen-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID135277469
Molecular FormulaC54H35NOS
Molecular Weight745.95 g/mol
Exact Mass745.24
IUPAC NameN-[4-(2-dibenzofuran-2-yldibenzothiophen-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5sc6ccccc6c5cc4-c4ccc5oc6ccccc6c5c4)cc3)cc2)cc1
InChIInChI=1S/C54H35NOS/c1-3-11-36(12-4-1)38-19-26-42(27-20-38)55(43-28-21-39(22-29-43)37-13-5-2-6-14-37)44-30-23-40(24-31-44)48-35-54-50(46-16-8-10-18-53(46)57-54)34-47(48)41-25-32-52-49(33-41)45-15-7-9-17-51(45)56-52/h1-35H
InChIKeyVZURAMZCLBXEOG-UHFFFAOYSA-N
XLogP16.09
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.95
LogP ≤ 516.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-dibenzofuran-3-yldibenzothiophen-3-yl)phenyl]-N,4-diphenylaniline
CID 138707755
2-dibenzofuran-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 135277500
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
4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 135277463
N-dibenzothiophen-3-yl-2-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine;N,2-diphenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine;N-(2-phenyldibenzothiophen-3-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-4-(4-phenylphenyl)aniline;4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 163873163
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
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
N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 159820333
N-[4-[4-(N-dibenzothiophen-2-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 161374051
4-phenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 135277321
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085217
2-N-dibenzofuran-3-yl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 146574016

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-dibenzofuran-2-yldibenzothiophen-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(2-dibenzofuran-2-yldibenzothiophen-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 135277469) is N-[4-(2-dibenzofuran-2-yldibenzothiophen-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(2-dibenzofuran-2-yldibenzothiophen-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(2-dibenzofuran-2-yldibenzothiophen-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5sc6ccccc6c5cc4-c4ccc5oc6ccccc6c5c4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(2-dibenzofuran-2-yldibenzothiophen-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is VZURAMZCLBXEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NOS/c1-3-11-36(12-4-1)38-19-26-42(27-20-38)55(43-28-21-39(22-29-43)37-13-5-2-6-14-37)44-30-23-40(24-31-44)48-35-54-50(46-16-8-10-18-53(46)57-54)34-47(48)41-25-32-52-49(33-41)45-15-7-9-17-51(45)56-52/h1-35H.
What are the key properties of N-[4-(2-dibenzofuran-2-yldibenzothiophen-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-(2-dibenzofuran-2-yldibenzothiophen-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 745.95 g/mol, XLogP of 16.09, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-dibenzofuran-2-yldibenzothiophen-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 135277469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).