5-(4-carbazol-9-yl-N-dibenzofuran-3-ylanilino)-3-(3-phenylcarbazol-9-yl)benzene-1,2-dicarbonitrile

C56H33N5O — CID 166027932

IUPAC5-(4-carbazol-9-yl-N-dibenzofuran-3-ylanilino)-3-(3-phenylcarbazol-9-yl)benzene-1,2-dicarbonitrile
SMILESN#Cc1cc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3c(c2)oc2ccccc23)cc(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c1C#N
InChIInChI=1S/C56H33N5O/c57-34-38-30-42(32-54(49(38)35-58)61-52-20-10-6-16-45(52)48-31-37(22-29-53(48)61)36-12-2-1-3-13-36)59(41-27-28-47-46-17-7-11-21-55(46)62-56(47)33-41)39-23-25-40(26-24-39)60-50-18-8-4-14-43(50)44-15-5-9-19-51(44)60/h1-33H
InChIKeyLLLDJZKOOLAFBX-UHFFFAOYSA-N
MW791.91 g/mol
LogP14.66
Rot. Bonds6

About 5-(4-carbazol-9-yl-N-dibenzofuran-3-ylanilino)-3-(3-phenylcarbazol-9-yl)benzene-1,2-dicarbonitrile

5-(4-carbazol-9-yl-N-dibenzofuran-3-ylanilino)-3-(3-phenylcarbazol-9-yl)benzene-1,2-dicarbonitrile (PubChem CID 166027932) has the molecular formula C56H33N5O and a molecular weight of 791.91 g/mol. Its IUPAC name is 5-(4-carbazol-9-yl-N-dibenzofuran-3-ylanilino)-3-(3-phenylcarbazol-9-yl)benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name5-(4-carbazol-9-yl-N-dibenzofuran-3-ylanilino)-3-(3-phenylcarbazol-9-yl)benzene-1,2-dicarbonitrile
PubChem CID166027932
Molecular FormulaC56H33N5O
Molecular Weight791.91 g/mol
Exact Mass791.27
IUPAC Name5-(4-carbazol-9-yl-N-dibenzofuran-3-ylanilino)-3-(3-phenylcarbazol-9-yl)benzene-1,2-dicarbonitrile
SMILESN#Cc1cc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3c(c2)oc2ccccc23)cc(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c1C#N
InChIInChI=1S/C56H33N5O/c57-34-38-30-42(32-54(49(38)35-58)61-52-20-10-6-16-45(52)48-31-37(22-29-53(48)61)36-12-2-1-3-13-36)59(41-27-28-47-46-17-7-11-21-55(46)62-56(47)33-41)39-23-25-40(26-24-39)60-50-18-8-4-14-43(50)44-15-5-9-19-51(44)60/h1-33H
InChIKeyLLLDJZKOOLAFBX-UHFFFAOYSA-N
XLogP14.66
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.91
LogP ≤ 514.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 161469744
4-[4-[N-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)anilino]phenyl]benzonitrile
CID 118314835
N-(4-dibenzofuran-3-ylphenyl)-N-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 90376825
N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 131972152
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzofuran-3-amine
CID 129085164
N-[4-(6-dibenzofuran-2-yl-9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 90194656
N-[4-[4-[3-(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118402378
N-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-3-amine
CID 118462597
N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine
CID 164831591
7-N-dibenzofuran-3-yl-3-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410174
1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-dinaphthalen-2-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine
CID 129175587
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

Frequently Asked Questions

What is the IUPAC name of 5-(4-carbazol-9-yl-N-dibenzofuran-3-ylanilino)-3-(3-phenylcarbazol-9-yl)benzene-1,2-dicarbonitrile?
The IUPAC name of 5-(4-carbazol-9-yl-N-dibenzofuran-3-ylanilino)-3-(3-phenylcarbazol-9-yl)benzene-1,2-dicarbonitrile (CID 166027932) is 5-(4-carbazol-9-yl-N-dibenzofuran-3-ylanilino)-3-(3-phenylcarbazol-9-yl)benzene-1,2-dicarbonitrile.
What is the SMILES notation for 5-(4-carbazol-9-yl-N-dibenzofuran-3-ylanilino)-3-(3-phenylcarbazol-9-yl)benzene-1,2-dicarbonitrile?
The canonical SMILES for 5-(4-carbazol-9-yl-N-dibenzofuran-3-ylanilino)-3-(3-phenylcarbazol-9-yl)benzene-1,2-dicarbonitrile is N#Cc1cc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3c(c2)oc2ccccc23)cc(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c1C#N.
What is the InChIKey of 5-(4-carbazol-9-yl-N-dibenzofuran-3-ylanilino)-3-(3-phenylcarbazol-9-yl)benzene-1,2-dicarbonitrile?
The InChIKey is LLLDJZKOOLAFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H33N5O/c57-34-38-30-42(32-54(49(38)35-58)61-52-20-10-6-16-45(52)48-31-37(22-29-53(48)61)36-12-2-1-3-13-36)59(41-27-28-47-46-17-7-11-21-55(46)62-56(47)33-41)39-23-25-40(26-24-39)60-50-18-8-4-14-43(50)44-15-5-9-19-51(44)60/h1-33H.
What are the key properties of 5-(4-carbazol-9-yl-N-dibenzofuran-3-ylanilino)-3-(3-phenylcarbazol-9-yl)benzene-1,2-dicarbonitrile?
5-(4-carbazol-9-yl-N-dibenzofuran-3-ylanilino)-3-(3-phenylcarbazol-9-yl)benzene-1,2-dicarbonitrile has a molecular weight of 791.91 g/mol, XLogP of 14.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-carbazol-9-yl-N-dibenzofuran-3-ylanilino)-3-(3-phenylcarbazol-9-yl)benzene-1,2-dicarbonitrile is sourced from PubChem (CID 166027932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).