4-[4-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-yl]-N,N-diphenylaniline

C64H42N2O — CID 121443581

IUPAC4-[4-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-yl]-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4cc(-c5ccc6oc7ccccc7c6c5)cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)c4ccccc34)cc2)cc1
InChIInChI=1S/C64H42N2O/c1-4-16-49(17-5-1)65(50-18-6-2-7-19-50)52-32-28-43(29-33-52)53-34-35-54(56-23-11-10-22-55(53)56)48-39-46(38-47(40-48)45-31-37-64-60(42-45)58-25-13-15-27-63(58)67-64)44-30-36-62-59(41-44)57-24-12-14-26-61(57)66(62)51-20-8-3-9-21-51/h1-42H
InChIKeyHZFJIUMZZOLLNM-UHFFFAOYSA-N
MW855.05 g/mol
LogP17.97
Rot. Bonds8

About 4-[4-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-yl]-N,N-diphenylaniline

4-[4-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-yl]-N,N-diphenylaniline (PubChem CID 121443581) has the molecular formula C64H42N2O and a molecular weight of 855.05 g/mol. Its IUPAC name is 4-[4-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[4-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-yl]-N,N-diphenylaniline
PubChem CID121443581
Molecular FormulaC64H42N2O
Molecular Weight855.05 g/mol
Exact Mass854.33
IUPAC Name4-[4-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-yl]-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4cc(-c5ccc6oc7ccccc7c6c5)cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)c4ccccc34)cc2)cc1
InChIInChI=1S/C64H42N2O/c1-4-16-49(17-5-1)65(50-18-6-2-7-19-50)52-32-28-43(29-33-52)53-34-35-54(56-23-11-10-22-55(53)56)48-39-46(38-47(40-48)45-31-37-64-60(42-45)58-25-13-15-27-63(58)67-64)44-30-36-62-59(41-44)57-24-12-14-26-61(57)66(62)51-20-8-3-9-21-51/h1-42H
InChIKeyHZFJIUMZZOLLNM-UHFFFAOYSA-N
XLogP17.97
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.05
LogP ≤ 517.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121443574
N-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-2-amine
CID 118289224
N-dibenzofuran-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;4-phenyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 158933576
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-6,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline;9-phenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 158901637
N-[4-[4-[3-(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118402378
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-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 118462582
N-[4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N,9-diphenylcarbazol-3-amine;4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-[4-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]anilino]phenyl]anilino]phenyl]-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 159314688
4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]aniline
CID 163739644
4-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline;4-N-(4-carbazol-9-ylphenyl)-4-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N-diphenylnaphthalene-1,4-diamine;4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-[4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 157190055
5-[7-(N-dibenzofuran-2-ylanilino)-9-phenylcarbazol-3-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 146588588
N-(4-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 146578329

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[4-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-yl]-N,N-diphenylaniline (CID 121443581) is 4-[4-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[4-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[4-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-yl]-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4cc(-c5ccc6oc7ccccc7c6c5)cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)c4ccccc34)cc2)cc1.
What is the InChIKey of 4-[4-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-yl]-N,N-diphenylaniline?
The InChIKey is HZFJIUMZZOLLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2O/c1-4-16-49(17-5-1)65(50-18-6-2-7-19-50)52-32-28-43(29-33-52)53-34-35-54(56-23-11-10-22-55(53)56)48-39-46(38-47(40-48)45-31-37-64-60(42-45)58-25-13-15-27-63(58)67-64)44-30-36-62-59(41-44)57-24-12-14-26-61(57)66(62)51-20-8-3-9-21-51/h1-42H.
What are the key properties of 4-[4-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-yl]-N,N-diphenylaniline?
4-[4-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-yl]-N,N-diphenylaniline has a molecular weight of 855.05 g/mol, XLogP of 17.97, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-yl]-N,N-diphenylaniline is sourced from PubChem (CID 121443581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).