N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline

C66H44N2O — CID 139545483

IUPACN-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccc(-c5ccccc5)cc4-n4c5ccccc5c5ccccc54)cc3)c3ccccc3-c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C66H44N2O/c1-3-18-45(19-4-1)47-34-36-48(37-35-47)52-22-7-12-29-60(52)67(61-30-13-10-25-56(61)58-27-17-28-59-57-26-11-16-33-65(57)69-66(58)59)51-41-38-49(39-42-51)53-43-40-50(46-20-5-2-6-21-46)44-64(53)68-62-31-14-8-23-54(62)55-24-9-15-32-63(55)68/h1-44H
InChIKeySPRWHYUINCSDOP-UHFFFAOYSA-N
MW881.09 g/mol
LogP18.49
Rot. Bonds9

About N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline

N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline (PubChem CID 139545483) has the molecular formula C66H44N2O and a molecular weight of 881.09 g/mol. Its IUPAC name is N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline
PubChem CID139545483
Molecular FormulaC66H44N2O
Molecular Weight881.09 g/mol
Exact Mass880.35
IUPAC NameN-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccc(-c5ccccc5)cc4-n4c5ccccc5c5ccccc54)cc3)c3ccccc3-c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C66H44N2O/c1-3-18-45(19-4-1)47-34-36-48(37-35-47)52-22-7-12-29-60(52)67(61-30-13-10-25-56(61)58-27-17-28-59-57-26-11-16-33-65(57)69-66(58)59)51-41-38-49(39-42-51)53-43-40-50(46-20-5-2-6-21-46)44-64(53)68-62-31-14-8-23-54(62)55-24-9-15-32-63(55)68/h1-44H
InChIKeySPRWHYUINCSDOP-UHFFFAOYSA-N
XLogP18.49
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.09
LogP ≤ 518.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline
CID 139544595
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-phenylaniline
CID 164822828
N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)naphthalen-2-amine
CID 139544828
N-[2-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline
CID 139544620
N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)phenanthren-2-amine
CID 139544833
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-(3-phenylphenyl)aniline
CID 139545263
N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-2-phenylaniline
CID 139544518
N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-naphthalen-2-ylaniline
CID 139544809
N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline
CID 139545367
2-(2-carbazol-9-ylphenyl)-N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N-(3-phenylphenyl)aniline
CID 139544521
N-[2-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline
CID 118086600
N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-ylaniline
CID 139545467

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline (CID 139545483) is N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccc(-c5ccccc5)cc4-n4c5ccccc5c5ccccc54)cc3)c3ccccc3-c3cccc4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline?
The InChIKey is SPRWHYUINCSDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2O/c1-3-18-45(19-4-1)47-34-36-48(37-35-47)52-22-7-12-29-60(52)67(61-30-13-10-25-56(61)58-27-17-28-59-57-26-11-16-33-65(57)69-66(58)59)51-41-38-49(39-42-51)53-43-40-50(46-20-5-2-6-21-46)44-64(53)68-62-31-14-8-23-54(62)55-24-9-15-32-63(55)68/h1-44H.
What are the key properties of N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline?
N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline has a molecular weight of 881.09 g/mol, XLogP of 18.49, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline is sourced from PubChem (CID 139545483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).