3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]aniline

C66H44N2O — CID 121443776

IUPAC3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5c4)c3)cc2)cc1
InChIInChI=1S/C66H44N2O/c1-4-14-45(15-5-1)48-24-32-55(33-25-48)67(56-34-26-49(27-35-56)46-16-6-2-7-17-46)58-41-53(51-31-39-66-62(43-51)61-21-11-13-23-65(61)69-66)40-54(42-58)52-30-38-60-59-20-10-12-22-63(59)68(64(60)44-52)57-36-28-50(29-37-57)47-18-8-3-9-19-47/h1-44H
InChIKeySDKSXEYFTWDARX-UHFFFAOYSA-N
MW881.09 g/mol
LogP18.49
Rot. Bonds9

About 3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]aniline

3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]aniline (PubChem CID 121443776) has the molecular formula C66H44N2O and a molecular weight of 881.09 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]aniline.

Molecular Properties

Compound Name3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]aniline
PubChem CID121443776
Molecular FormulaC66H44N2O
Molecular Weight881.09 g/mol
Exact Mass880.35
IUPAC Name3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5c4)c3)cc2)cc1
InChIInChI=1S/C66H44N2O/c1-4-14-45(15-5-1)48-24-32-55(33-25-48)67(56-34-26-49(27-35-56)46-16-6-2-7-17-46)58-41-53(51-31-39-66-62(43-51)61-21-11-13-23-65(61)69-66)40-54(42-58)52-30-38-60-59-20-10-12-22-63(59)68(64(60)44-52)57-36-28-50(29-37-57)47-18-8-3-9-19-47/h1-44H
InChIKeySDKSXEYFTWDARX-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

3-dibenzofuran-2-yl-N,N-diphenyl-5-[9-(4-phenylphenyl)carbazol-2-yl]aniline
CID 121443777
3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]phenyl]-N,3-diphenylaniline
CID 161194033
N-(4-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 146578329
N-[4-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121443574
N-[4-[4-[3-(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118402378
4-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline
CID 58510759
N-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-2-amine
CID 118289224
5-dibenzofuran-2-yl-1-N,3-N-diphenyl-1-N,3-N-bis(9-phenylcarbazol-2-yl)benzene-1,3-diamine
CID 122634225
N-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-4-phenylaniline
CID 118405567
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-phenylaniline
CID 147432395
5-carbazol-9-yl-3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
CID 118605166
N-[4-[4-[3,6-bis(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118402366

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]aniline?
The IUPAC name of 3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]aniline (CID 121443776) is 3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]aniline.
What is the SMILES notation for 3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]aniline?
The canonical SMILES for 3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5c4)c3)cc2)cc1.
What is the InChIKey of 3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]aniline?
The InChIKey is SDKSXEYFTWDARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2O/c1-4-14-45(15-5-1)48-24-32-55(33-25-48)67(56-34-26-49(27-35-56)46-16-6-2-7-17-46)58-41-53(51-31-39-66-62(43-51)61-21-11-13-23-65(61)69-66)40-54(42-58)52-30-38-60-59-20-10-12-22-63(59)68(64(60)44-52)57-36-28-50(29-37-57)47-18-8-3-9-19-47/h1-44H.
What are the key properties of 3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]aniline?
3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]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 3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]aniline is sourced from PubChem (CID 121443776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).