N-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline

C56H36N2OS — CID 118405496

IUPACN-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6cc7oc8ccccc8c7cc65)cc4)cc3)c3ccc(-c4cc5ccccc5s4)cc3)cc2)cc1
InChIInChI=1S/C56H36N2OS/c1-2-10-37(11-3-1)38-18-26-43(27-19-38)57(45-32-24-41(25-33-45)56-34-42-12-4-9-17-55(42)60-56)44-28-20-39(21-29-44)40-22-30-46(31-23-40)58-51-15-7-5-13-47(51)49-36-54-50(35-52(49)58)48-14-6-8-16-53(48)59-54/h1-36H
InChIKeyYOSFNTZLZNJUKI-UHFFFAOYSA-N
MW784.98 g/mol
LogP16.37
Rot. Bonds7

About N-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline

N-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline (PubChem CID 118405496) has the molecular formula C56H36N2OS and a molecular weight of 784.98 g/mol. Its IUPAC name is N-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline
PubChem CID118405496
Molecular FormulaC56H36N2OS
Molecular Weight784.98 g/mol
Exact Mass784.25
IUPAC NameN-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6cc7oc8ccccc8c7cc65)cc4)cc3)c3ccc(-c4cc5ccccc5s4)cc3)cc2)cc1
InChIInChI=1S/C56H36N2OS/c1-2-10-37(11-3-1)38-18-26-43(27-19-38)57(45-32-24-41(25-33-45)56-34-42-12-4-9-17-55(42)60-56)44-28-20-39(21-29-44)40-22-30-46(31-23-40)58-51-15-7-5-13-47(51)49-36-54-50(35-52(49)58)48-14-6-8-16-53(48)59-54/h1-36H
InChIKeyYOSFNTZLZNJUKI-UHFFFAOYSA-N
XLogP16.37
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.98
LogP ≤ 516.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline;N-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline;N-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline
CID 158630950
N-[4-(1-benzothiophen-2-yl)phenyl]-N-(4-carbazol-9-ylphenyl)-4-(5-phenylthiophen-2-yl)aniline;N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]aniline
CID 161225008
4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
CID 135164572
N-[4-(1-benzothiophen-2-yl)phenyl]-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-phenylaniline
CID 164744492
N-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-4-phenylaniline
CID 118405567
N-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 118405605
N-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)aniline
CID 164744498
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-phenylaniline
CID 147432395
N-[4-[4-[3-(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118402378
N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 131972152
N-(4-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 146578329
N-(4-dibenzofuran-3-ylphenyl)-N-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 90376825

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline?
The IUPAC name of N-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline (CID 118405496) is N-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline.
What is the SMILES notation for N-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline?
The canonical SMILES for N-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6cc7oc8ccccc8c7cc65)cc4)cc3)c3ccc(-c4cc5ccccc5s4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline?
The InChIKey is YOSFNTZLZNJUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2OS/c1-2-10-37(11-3-1)38-18-26-43(27-19-38)57(45-32-24-41(25-33-45)56-34-42-12-4-9-17-55(42)60-56)44-28-20-39(21-29-44)40-22-30-46(31-23-40)58-51-15-7-5-13-47(51)49-36-54-50(35-52(49)58)48-14-6-8-16-53(48)59-54/h1-36H.
What are the key properties of N-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline?
N-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline has a molecular weight of 784.98 g/mol, XLogP of 16.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylaniline is sourced from PubChem (CID 118405496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).