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

C66H44N2O — CID 139545258

IUPACN-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc2)cc1
InChIInChI=1S/C66H44N2O/c1-2-13-45(14-3-1)48-33-39-53(40-34-48)67(55-43-37-50(38-44-55)47-27-31-52(32-28-47)57-19-12-20-61-60-18-7-11-24-65(60)69-66(57)61)54-41-35-49(36-42-54)46-25-29-51(30-26-46)56-15-4-8-21-62(56)68-63-22-9-5-16-58(63)59-17-6-10-23-64(59)68/h1-44H
InChIKeyNVGADUMIZBYZJA-UHFFFAOYSA-N
MW881.09 g/mol
LogP18.49
Rot. Bonds9

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

N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline (PubChem CID 139545258) has the molecular formula C66H44N2O and a molecular weight of 881.09 g/mol. Its IUPAC name is N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline
PubChem CID139545258
Molecular FormulaC66H44N2O
Molecular Weight881.09 g/mol
Exact Mass880.35
IUPAC NameN-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc2)cc1
InChIInChI=1S/C66H44N2O/c1-2-13-45(14-3-1)48-33-39-53(40-34-48)67(55-43-37-50(38-44-55)47-27-31-52(32-28-47)57-19-12-20-61-60-18-7-11-24-65(60)69-66(57)61)54-41-35-49(36-42-54)46-25-29-51(30-26-46)56-15-4-8-21-62(56)68-63-22-9-5-16-58(63)59-17-6-10-23-64(59)68/h1-44H
InChIKeyNVGADUMIZBYZJA-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-dibenzofuran-4-ylphenyl)-N-[4-[4-[2-(4,5-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenylaniline
CID 155038015
3-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 139544982
N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]aniline
CID 164724975
N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-dibenzofuran-4-yl-N-phenylaniline
CID 139544485
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-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-phenylphenyl)-9-[2-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 164971651
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 139544637
N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline
CID 139545367
N-[2-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline
CID 139544620
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline
CID 139544595

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline?
The IUPAC name of N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline (CID 139545258) is N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline.
What is the SMILES notation for N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline?
The canonical SMILES for N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline?
The InChIKey is NVGADUMIZBYZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2O/c1-2-13-45(14-3-1)48-33-39-53(40-34-48)67(55-43-37-50(38-44-55)47-27-31-52(32-28-47)57-19-12-20-61-60-18-7-11-24-65(60)69-66(57)61)54-41-35-49(36-42-54)46-25-29-51(30-26-46)56-15-4-8-21-62(56)68-63-22-9-5-16-58(63)59-17-6-10-23-64(59)68/h1-44H.
What are the key properties of N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline?
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-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-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline is sourced from PubChem (CID 139545258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).