N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-[3-(3-phenylphenyl)phenyl]aniline

C66H44N2O — CID 155398660

IUPACN-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-[3-(3-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cccc(-c3cccc(N(c4ccc(-c5cccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c5)cc4)c4ccccc4-c4cccc5oc6ccccc6c45)c3)c2)cc1
InChIInChI=1S/C66H44N2O/c1-2-16-45(17-3-1)48-18-13-21-51(43-48)52-22-14-23-55(44-52)67(61-29-8-6-26-58(61)59-28-15-33-65-66(59)60-27-7-11-32-64(60)69-65)53-38-34-46(35-39-53)49-19-12-20-50(42-49)47-36-40-54(41-37-47)68-62-30-9-4-24-56(62)57-25-5-10-31-63(57)68/h1-44H
InChIKeyNUFYXCNBFRAZPQ-UHFFFAOYSA-N
MW881.09 g/mol
LogP18.49
Rot. Bonds9

About N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-[3-(3-phenylphenyl)phenyl]aniline

N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-[3-(3-phenylphenyl)phenyl]aniline (PubChem CID 155398660) has the molecular formula C66H44N2O and a molecular weight of 881.09 g/mol. Its IUPAC name is N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-[3-(3-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-[3-(3-phenylphenyl)phenyl]aniline
PubChem CID155398660
Molecular FormulaC66H44N2O
Molecular Weight881.09 g/mol
Exact Mass880.35
IUPAC NameN-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-[3-(3-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cccc(-c3cccc(N(c4ccc(-c5cccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c5)cc4)c4ccccc4-c4cccc5oc6ccccc6c45)c3)c2)cc1
InChIInChI=1S/C66H44N2O/c1-2-16-45(17-3-1)48-18-13-21-51(43-48)52-22-14-23-55(44-52)67(61-29-8-6-26-58(61)59-28-15-33-65-66(59)60-27-7-11-32-64(60)69-65)53-38-34-46(35-39-53)49-19-12-20-50(42-49)47-36-40-54(41-37-47)68-62-30-9-4-24-56(62)57-25-5-10-31-63(57)68/h1-44H
InChIKeyNUFYXCNBFRAZPQ-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-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline
CID 155398519
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[3-(4-phenylphenyl)phenyl]aniline
CID 155398509
N-(4-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-[3-(2-phenylphenyl)phenyl]aniline
CID 155398745
N-(4-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-[3-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167325205
N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-dibenzofuran-1-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 155649267
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline
CID 153314795
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-1-ylphenyl)naphthalen-2-amine
CID 155398542
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-(4-phenylphenyl)aniline
CID 155397977
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-phenylaniline
CID 155649256
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-phenylphenyl)aniline
CID 155398540
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-1-yl-N-phenylaniline
CID 155398130
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[2-(2-phenylphenyl)phenyl]aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[3-(2-phenylphenyl)phenyl]aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 162216331

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-[3-(3-phenylphenyl)phenyl]aniline?
The IUPAC name of N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-[3-(3-phenylphenyl)phenyl]aniline (CID 155398660) is N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-[3-(3-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-[3-(3-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-[3-(3-phenylphenyl)phenyl]aniline is c1ccc(-c2cccc(-c3cccc(N(c4ccc(-c5cccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c5)cc4)c4ccccc4-c4cccc5oc6ccccc6c45)c3)c2)cc1.
What is the InChIKey of N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-[3-(3-phenylphenyl)phenyl]aniline?
The InChIKey is NUFYXCNBFRAZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2O/c1-2-16-45(17-3-1)48-18-13-21-51(43-48)52-22-14-23-55(44-52)67(61-29-8-6-26-58(61)59-28-15-33-65-66(59)60-27-7-11-32-64(60)69-65)53-38-34-46(35-39-53)49-19-12-20-50(42-49)47-36-40-54(41-37-47)68-62-30-9-4-24-56(62)57-25-5-10-31-63(57)68/h1-44H.
What are the key properties of N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-[3-(3-phenylphenyl)phenyl]aniline?
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-[3-(3-phenylphenyl)phenyl]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-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-[3-(3-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 155398660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).