3-[4-anilino-3-(3-dibenzofuran-4-ylphenyl)phenyl]-5-(9-phenylcarbazol-3-yl)benzonitrile

C55H35N3O — CID 121262064

IUPAC3-[4-anilino-3-(3-dibenzofuran-4-ylphenyl)phenyl]-5-(9-phenylcarbazol-3-yl)benzonitrile
SMILESN#Cc1cc(-c2ccc(Nc3ccccc3)c(-c3cccc(-c4cccc5c4oc4ccccc45)c3)c2)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1
InChIInChI=1S/C55H35N3O/c56-35-36-29-41(32-42(30-36)38-26-28-53-50(34-38)46-19-7-9-23-52(46)58(53)44-17-5-2-6-18-44)37-25-27-51(57-43-15-3-1-4-16-43)49(33-37)40-14-11-13-39(31-40)45-21-12-22-48-47-20-8-10-24-54(47)59-55(45)48/h1-34,57H
InChIKeyGAPOWCJGPULKSL-UHFFFAOYSA-N
MW753.91 g/mol
LogP14.97
Rot. Bonds7

About 3-[4-anilino-3-(3-dibenzofuran-4-ylphenyl)phenyl]-5-(9-phenylcarbazol-3-yl)benzonitrile

3-[4-anilino-3-(3-dibenzofuran-4-ylphenyl)phenyl]-5-(9-phenylcarbazol-3-yl)benzonitrile (PubChem CID 121262064) has the molecular formula C55H35N3O and a molecular weight of 753.91 g/mol. Its IUPAC name is 3-[4-anilino-3-(3-dibenzofuran-4-ylphenyl)phenyl]-5-(9-phenylcarbazol-3-yl)benzonitrile.

Molecular Properties

Compound Name3-[4-anilino-3-(3-dibenzofuran-4-ylphenyl)phenyl]-5-(9-phenylcarbazol-3-yl)benzonitrile
PubChem CID121262064
Molecular FormulaC55H35N3O
Molecular Weight753.91 g/mol
Exact Mass753.28
IUPAC Name3-[4-anilino-3-(3-dibenzofuran-4-ylphenyl)phenyl]-5-(9-phenylcarbazol-3-yl)benzonitrile
SMILESN#Cc1cc(-c2ccc(Nc3ccccc3)c(-c3cccc(-c4cccc5c4oc4ccccc45)c3)c2)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1
InChIInChI=1S/C55H35N3O/c56-35-36-29-41(32-42(30-36)38-26-28-53-50(34-38)46-19-7-9-23-52(46)58(53)44-17-5-2-6-18-44)37-25-27-51(57-43-15-3-1-4-16-43)49(33-37)40-14-11-13-39(31-40)45-21-12-22-48-47-20-8-10-24-54(47)59-55(45)48/h1-34,57H
InChIKeyGAPOWCJGPULKSL-UHFFFAOYSA-N
XLogP14.97
TPSA53.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.91
LogP ≤ 514.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[4-(7-dibenzofuran-4-yl-9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzonitrile
CID 129087220
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
3-[4-[4-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 126580295
9-phenyl-3-[3-(6-phenyldibenzofuran-2-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492344
N-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine
CID 121343364
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
3-carbazol-9-yl-5-(8-phenyldibenzofuran-4-yl)benzonitrile
CID 126761717
2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole;5,7-diphenyl-2-(9-phenylcarbazol-3-yl)indolo[2,3-b]carbazole
CID 160885475
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 134313296
N-[4-[4-[4-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121443631
3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
CID 71004884

Frequently Asked Questions

What is the IUPAC name of 3-[4-anilino-3-(3-dibenzofuran-4-ylphenyl)phenyl]-5-(9-phenylcarbazol-3-yl)benzonitrile?
The IUPAC name of 3-[4-anilino-3-(3-dibenzofuran-4-ylphenyl)phenyl]-5-(9-phenylcarbazol-3-yl)benzonitrile (CID 121262064) is 3-[4-anilino-3-(3-dibenzofuran-4-ylphenyl)phenyl]-5-(9-phenylcarbazol-3-yl)benzonitrile.
What is the SMILES notation for 3-[4-anilino-3-(3-dibenzofuran-4-ylphenyl)phenyl]-5-(9-phenylcarbazol-3-yl)benzonitrile?
The canonical SMILES for 3-[4-anilino-3-(3-dibenzofuran-4-ylphenyl)phenyl]-5-(9-phenylcarbazol-3-yl)benzonitrile is N#Cc1cc(-c2ccc(Nc3ccccc3)c(-c3cccc(-c4cccc5c4oc4ccccc45)c3)c2)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1.
What is the InChIKey of 3-[4-anilino-3-(3-dibenzofuran-4-ylphenyl)phenyl]-5-(9-phenylcarbazol-3-yl)benzonitrile?
The InChIKey is GAPOWCJGPULKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3O/c56-35-36-29-41(32-42(30-36)38-26-28-53-50(34-38)46-19-7-9-23-52(46)58(53)44-17-5-2-6-18-44)37-25-27-51(57-43-15-3-1-4-16-43)49(33-37)40-14-11-13-39(31-40)45-21-12-22-48-47-20-8-10-24-54(47)59-55(45)48/h1-34,57H.
What are the key properties of 3-[4-anilino-3-(3-dibenzofuran-4-ylphenyl)phenyl]-5-(9-phenylcarbazol-3-yl)benzonitrile?
3-[4-anilino-3-(3-dibenzofuran-4-ylphenyl)phenyl]-5-(9-phenylcarbazol-3-yl)benzonitrile has a molecular weight of 753.91 g/mol, XLogP of 14.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-anilino-3-(3-dibenzofuran-4-ylphenyl)phenyl]-5-(9-phenylcarbazol-3-yl)benzonitrile is sourced from PubChem (CID 121262064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).