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

C54H36N2O — CID 121443777

IUPAC3-dibenzofuran-2-yl-N,N-diphenyl-5-[9-(4-phenylphenyl)carbazol-2-yl]aniline
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5cc(-c6ccc7oc8ccccc8c7c6)cc(N(c6ccccc6)c6ccccc6)c5)cc43)cc2)cc1
InChIInChI=1S/C54H36N2O/c1-4-14-37(15-5-1)38-24-28-45(29-25-38)56-51-22-12-10-20-47(51)48-30-26-40(36-52(48)56)42-32-41(39-27-31-54-50(35-39)49-21-11-13-23-53(49)57-54)33-46(34-42)55(43-16-6-2-7-17-43)44-18-8-3-9-19-44/h1-36H
InChIKeyLLJHKJOIDALSJS-UHFFFAOYSA-N
MW728.90 g/mol
LogP15.15
Rot. Bonds7

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

3-dibenzofuran-2-yl-N,N-diphenyl-5-[9-(4-phenylphenyl)carbazol-2-yl]aniline (PubChem CID 121443777) has the molecular formula C54H36N2O and a molecular weight of 728.90 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-N,N-diphenyl-5-[9-(4-phenylphenyl)carbazol-2-yl]aniline.

Molecular Properties

Compound Name3-dibenzofuran-2-yl-N,N-diphenyl-5-[9-(4-phenylphenyl)carbazol-2-yl]aniline
PubChem CID121443777
Molecular FormulaC54H36N2O
Molecular Weight728.90 g/mol
Exact Mass728.28
IUPAC Name3-dibenzofuran-2-yl-N,N-diphenyl-5-[9-(4-phenylphenyl)carbazol-2-yl]aniline
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5cc(-c6ccc7oc8ccccc8c7c6)cc(N(c6ccccc6)c6ccccc6)c5)cc43)cc2)cc1
InChIInChI=1S/C54H36N2O/c1-4-14-37(15-5-1)38-24-28-45(29-25-38)56-51-22-12-10-20-47(51)48-30-26-40(36-52(48)56)42-32-41(39-27-31-54-50(35-39)49-21-11-13-23-53(49)57-54)33-46(34-42)55(43-16-6-2-7-17-43)44-18-8-3-9-19-44/h1-36H
InChIKeyLLJHKJOIDALSJS-UHFFFAOYSA-N
XLogP15.15
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.90
LogP ≤ 515.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]aniline
CID 121443776
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-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-[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
3-[3-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N,N-diphenylaniline;N-[3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]-N,3-diphenylaniline
CID 162242115
4-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline
CID 58510759
3-N-dibenzofuran-2-yl-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 176781523
N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085107
N-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-4-phenylaniline
CID 118405567

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yl-N,N-diphenyl-5-[9-(4-phenylphenyl)carbazol-2-yl]aniline?
The IUPAC name of 3-dibenzofuran-2-yl-N,N-diphenyl-5-[9-(4-phenylphenyl)carbazol-2-yl]aniline (CID 121443777) is 3-dibenzofuran-2-yl-N,N-diphenyl-5-[9-(4-phenylphenyl)carbazol-2-yl]aniline.
What is the SMILES notation for 3-dibenzofuran-2-yl-N,N-diphenyl-5-[9-(4-phenylphenyl)carbazol-2-yl]aniline?
The canonical SMILES for 3-dibenzofuran-2-yl-N,N-diphenyl-5-[9-(4-phenylphenyl)carbazol-2-yl]aniline is c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5cc(-c6ccc7oc8ccccc8c7c6)cc(N(c6ccccc6)c6ccccc6)c5)cc43)cc2)cc1.
What is the InChIKey of 3-dibenzofuran-2-yl-N,N-diphenyl-5-[9-(4-phenylphenyl)carbazol-2-yl]aniline?
The InChIKey is LLJHKJOIDALSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2O/c1-4-14-37(15-5-1)38-24-28-45(29-25-38)56-51-22-12-10-20-47(51)48-30-26-40(36-52(48)56)42-32-41(39-27-31-54-50(35-39)49-21-11-13-23-53(49)57-54)33-46(34-42)55(43-16-6-2-7-17-43)44-18-8-3-9-19-44/h1-36H.
What are the key properties of 3-dibenzofuran-2-yl-N,N-diphenyl-5-[9-(4-phenylphenyl)carbazol-2-yl]aniline?
3-dibenzofuran-2-yl-N,N-diphenyl-5-[9-(4-phenylphenyl)carbazol-2-yl]aniline has a molecular weight of 728.90 g/mol, XLogP of 15.15, 7 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-diphenyl-5-[9-(4-phenylphenyl)carbazol-2-yl]aniline is sourced from PubChem (CID 121443777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).