N-(4-dibenzofuran-4-ylphenyl)-3-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline

C60H40N2O — CID 118640922

IUPACN-(4-dibenzofuran-4-ylphenyl)-3-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cc(-c4ccccc4)cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3)cc2)cc1
InChIInChI=1S/C60H40N2O/c1-4-15-41(16-5-1)43-27-32-49(33-28-43)61(50-34-29-44(30-35-50)52-23-14-24-56-55-22-11-13-26-59(55)63-60(52)56)51-38-46(42-17-6-2-7-18-42)37-47(39-51)45-31-36-54-53-21-10-12-25-57(53)62(58(54)40-45)48-19-8-3-9-20-48/h1-40H
InChIKeyANQHZRGASWXVFJ-UHFFFAOYSA-N
MW804.99 g/mol
LogP16.82
Rot. Bonds8

About N-(4-dibenzofuran-4-ylphenyl)-3-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline

N-(4-dibenzofuran-4-ylphenyl)-3-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline (PubChem CID 118640922) has the molecular formula C60H40N2O and a molecular weight of 804.99 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-3-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-3-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
PubChem CID118640922
Molecular FormulaC60H40N2O
Molecular Weight804.99 g/mol
Exact Mass804.31
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-3-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cc(-c4ccccc4)cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3)cc2)cc1
InChIInChI=1S/C60H40N2O/c1-4-15-41(16-5-1)43-27-32-49(33-28-43)61(50-34-29-44(30-35-50)52-23-14-24-56-55-22-11-13-26-59(55)63-60(52)56)51-38-46(42-17-6-2-7-18-42)37-47(39-51)45-31-36-54-53-21-10-12-25-57(53)62(58(54)40-45)48-19-8-3-9-20-48/h1-40H
InChIKeyANQHZRGASWXVFJ-UHFFFAOYSA-N
XLogP16.82
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.99
LogP ≤ 516.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-dibenzofuran-4-yl-N-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 121443723
3-[3-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N,N-diphenylaniline;N-[3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]-N,3-diphenylaniline
CID 162242115
N-[4-[4-[4-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121443631
2-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-9-phenylcarbazole
CID 122492294
N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814481
3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 121443658
N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]aniline
CID 88862471
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814780
N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]aniline
CID 164724975
N-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 58510827
N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90207163
4-[9-(4-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-N,N-diphenylaniline
CID 164786369

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-3-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-3-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline (CID 118640922) is N-(4-dibenzofuran-4-ylphenyl)-3-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-3-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-3-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cc(-c4ccccc4)cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-3-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline?
The InChIKey is ANQHZRGASWXVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2O/c1-4-15-41(16-5-1)43-27-32-49(33-28-43)61(50-34-29-44(30-35-50)52-23-14-24-56-55-22-11-13-26-59(55)63-60(52)56)51-38-46(42-17-6-2-7-18-42)37-47(39-51)45-31-36-54-53-21-10-12-25-57(53)62(58(54)40-45)48-19-8-3-9-20-48/h1-40H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-3-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline?
N-(4-dibenzofuran-4-ylphenyl)-3-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline has a molecular weight of 804.99 g/mol, XLogP of 16.82, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-3-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 118640922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).