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

C49H31N3O — CID 118314835

IUPAC4-[4-[N-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)anilino]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C49H31N3O/c50-32-33-14-16-34(17-15-33)35-18-23-39(24-19-35)51(41-27-28-44-43-11-5-7-13-48(43)53-49(44)31-41)40-25-20-36(21-26-40)37-22-29-47-45(30-37)42-10-4-6-12-46(42)52(47)38-8-2-1-3-9-38/h1-31H
InChIKeyFUXGYMZKCTXKMQ-UHFFFAOYSA-N
MW677.81 g/mol
LogP13.36
Rot. Bonds6

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

4-[4-[N-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)anilino]phenyl]benzonitrile (PubChem CID 118314835) has the molecular formula C49H31N3O and a molecular weight of 677.81 g/mol. Its IUPAC name is 4-[4-[N-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)anilino]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[N-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)anilino]phenyl]benzonitrile
PubChem CID118314835
Molecular FormulaC49H31N3O
Molecular Weight677.81 g/mol
Exact Mass677.25
IUPAC Name4-[4-[N-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)anilino]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C49H31N3O/c50-32-33-14-16-34(17-15-33)35-18-23-39(24-19-35)51(41-27-28-44-43-11-5-7-13-48(43)53-49(44)31-41)40-25-20-36(21-26-40)37-22-29-47-45(30-37)42-10-4-6-12-46(42)52(47)38-8-2-1-3-9-38/h1-31H
InChIKeyFUXGYMZKCTXKMQ-UHFFFAOYSA-N
XLogP13.36
TPSA45.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.81
LogP ≤ 513.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
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-dibenzofuran-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 168814816
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
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-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
5-(4-carbazol-9-yl-N-dibenzofuran-3-ylanilino)-3-(3-phenylcarbazol-9-yl)benzene-1,2-dicarbonitrile
CID 166027932
4-[N-dibenzofuran-3-yl-4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]anilino]benzonitrile
CID 71126867
N-dibenzofuran-3-yl-N-(4-dibenzoselenophen-2-ylphenyl)-9-phenylcarbazol-3-amine
CID 158632127

Frequently Asked Questions

What is the IUPAC name of 4-[4-[N-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)anilino]phenyl]benzonitrile?
The IUPAC name of 4-[4-[N-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)anilino]phenyl]benzonitrile (CID 118314835) is 4-[4-[N-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)anilino]phenyl]benzonitrile.
What is the SMILES notation for 4-[4-[N-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)anilino]phenyl]benzonitrile?
The canonical SMILES for 4-[4-[N-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)anilino]phenyl]benzonitrile is N#Cc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc1.
What is the InChIKey of 4-[4-[N-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)anilino]phenyl]benzonitrile?
The InChIKey is FUXGYMZKCTXKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3O/c50-32-33-14-16-34(17-15-33)35-18-23-39(24-19-35)51(41-27-28-44-43-11-5-7-13-48(43)53-49(44)31-41)40-25-20-36(21-26-40)37-22-29-47-45(30-37)42-10-4-6-12-46(42)52(47)38-8-2-1-3-9-38/h1-31H.
What are the key properties of 4-[4-[N-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)anilino]phenyl]benzonitrile?
4-[4-[N-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)anilino]phenyl]benzonitrile has a molecular weight of 677.81 g/mol, XLogP of 13.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[N-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)anilino]phenyl]benzonitrile is sourced from PubChem (CID 118314835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).