N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline

C66H44N2O — CID 139545367

IUPACN-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5cccc6c5oc5ccccc56)c4)cc3)c3ccc(-c4ccc(-c5ccccc5)cc4-n4c5ccccc5c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C66H44N2O/c1-3-15-45(16-4-1)47-29-36-53(37-30-47)67(54-38-31-48(32-39-54)50-19-13-20-52(43-50)57-24-14-25-61-60-23-9-12-28-65(60)69-66(57)61)55-40-33-49(34-41-55)56-42-35-51(46-17-5-2-6-18-46)44-64(56)68-62-26-10-7-21-58(62)59-22-8-11-27-63(59)68/h1-44H
InChIKeyBZOPMNJIEVBRAV-UHFFFAOYSA-N
MW881.09 g/mol
LogP18.49
Rot. Bonds9

About N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline

N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline (PubChem CID 139545367) 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-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline
PubChem CID139545367
Molecular FormulaC66H44N2O
Molecular Weight881.09 g/mol
Exact Mass880.35
IUPAC NameN-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5cccc6c5oc5ccccc56)c4)cc3)c3ccc(-c4ccc(-c5ccccc5)cc4-n4c5ccccc5c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C66H44N2O/c1-3-15-45(16-4-1)47-29-36-53(37-30-47)67(54-38-31-48(32-39-54)50-19-13-20-52(43-50)57-24-14-25-61-60-23-9-12-28-65(60)69-66(57)61)55-40-33-49(34-41-55)56-42-35-51(46-17-5-2-6-18-46)44-64(56)68-62-26-10-7-21-58(62)59-22-8-11-27-63(59)68/h1-44H
InChIKeyBZOPMNJIEVBRAV-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-(2-carbazol-9-ylphenyl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 139545181
N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 139545368
N-[3-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-3-(4-phenylphenyl)aniline
CID 139544656
3-(2-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 139544966
N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-ylaniline
CID 139545467
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 139544637
3-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 139544982
N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-3-[2-[4-[4-[4-[4-(2-carbazol-9-yl-4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]phenyl]dibenzofuran-2-yl]phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)aniline
CID 139544815
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline
CID 139545258
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-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-(3-phenylphenyl)aniline
CID 139545263
N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]aniline
CID 164724975

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline?
The IUPAC name of N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline (CID 139545367) is N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline.
What is the SMILES notation for N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline?
The canonical SMILES for N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5cccc6c5oc5ccccc56)c4)cc3)c3ccc(-c4ccc(-c5ccccc5)cc4-n4c5ccccc5c5ccccc54)cc3)cc2)cc1.
What is the InChIKey of N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline?
The InChIKey is BZOPMNJIEVBRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2O/c1-3-15-45(16-4-1)47-29-36-53(37-30-47)67(54-38-31-48(32-39-54)50-19-13-20-52(43-50)57-24-14-25-61-60-23-9-12-28-65(60)69-66(57)61)55-40-33-49(34-41-55)56-42-35-51(46-17-5-2-6-18-46)44-64(56)68-62-26-10-7-21-58(62)59-22-8-11-27-63(59)68/h1-44H.
What are the key properties of N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline?
N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline 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-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline is sourced from PubChem (CID 139545367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).