4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]aniline

C54H37N3O — CID 163739644

IUPAC4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]aniline
SMILESNc1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C54H37N3O/c55-42-24-14-36(15-25-42)37-16-26-44(27-17-37)56(46-30-20-39(21-31-46)41-23-33-54-50(35-41)48-11-5-7-13-53(48)58-54)45-28-18-38(19-29-45)40-22-32-52-49(34-40)47-10-4-6-12-51(47)57(52)43-8-2-1-3-9-43/h1-35H,55H2
InChIKeyLGQRSVOIFQLQJZ-UHFFFAOYSA-N
MW743.91 g/mol
LogP14.74
Rot. Bonds7

About 4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]aniline

4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]aniline (PubChem CID 163739644) has the molecular formula C54H37N3O and a molecular weight of 743.91 g/mol. Its IUPAC name is 4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]aniline.

Molecular Properties

Compound Name4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]aniline
PubChem CID163739644
Molecular FormulaC54H37N3O
Molecular Weight743.91 g/mol
Exact Mass743.29
IUPAC Name4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]aniline
SMILESNc1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C54H37N3O/c55-42-24-14-36(15-25-42)37-16-26-44(27-17-37)56(46-30-20-39(21-31-46)41-23-33-54-50(35-41)48-11-5-7-13-53(48)58-54)45-28-18-38(19-29-45)40-22-32-52-49(34-40)47-10-4-6-12-51(47)57(52)43-8-2-1-3-9-43/h1-35H,55H2
InChIKeyLGQRSVOIFQLQJZ-UHFFFAOYSA-N
XLogP14.74
TPSA47.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.91
LogP ≤ 514.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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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-(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
N-(4-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 146578329
N-[4-[4-[3,6-bis(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118402366
4-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline
CID 58510759
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 118462582
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,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 161469744
N-[4-(6-dibenzofuran-2-yl-9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 90194656
N-(4-naphthalen-2-ylphenyl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-2-amine
CID 58510646
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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]aniline?
The IUPAC name of 4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]aniline (CID 163739644) is 4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]aniline.
What is the SMILES notation for 4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]aniline?
The canonical SMILES for 4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]aniline is Nc1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]aniline?
The InChIKey is LGQRSVOIFQLQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N3O/c55-42-24-14-36(15-25-42)37-16-26-44(27-17-37)56(46-30-20-39(21-31-46)41-23-33-54-50(35-41)48-11-5-7-13-53(48)58-54)45-28-18-38(19-29-45)40-22-32-52-49(34-40)47-10-4-6-12-51(47)57(52)43-8-2-1-3-9-43/h1-35H,55H2.
What are the key properties of 4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]aniline?
4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]aniline has a molecular weight of 743.91 g/mol, XLogP of 14.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]aniline is sourced from PubChem (CID 163739644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).