4-(4-carbazol-9-ylphenyl)-N-(3-phenanthren-2-ylphenyl)-N-phenyldibenzofuran-3-amine

C56H36N2O — CID 176608220

IUPAC4-(4-carbazol-9-ylphenyl)-N-(3-phenanthren-2-ylphenyl)-N-phenyldibenzofuran-3-amine
SMILESc1ccc(N(c2cccc(-c3ccc4c(ccc5ccccc54)c3)c2)c2ccc3c(oc4ccccc43)c2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C56H36N2O/c1-2-15-42(16-3-1)57(44-17-12-14-39(36-44)40-29-32-46-41(35-40)26-25-37-13-4-5-18-45(37)46)53-34-33-50-49-21-8-11-24-54(49)59-56(50)55(53)38-27-30-43(31-28-38)58-51-22-9-6-19-47(51)48-20-7-10-23-52(48)58/h1-36H
InChIKeyWIOQLUZGHIQGLZ-UHFFFAOYSA-N
MW752.92 g/mol
LogP15.79
Rot. Bonds6

About 4-(4-carbazol-9-ylphenyl)-N-(3-phenanthren-2-ylphenyl)-N-phenyldibenzofuran-3-amine

4-(4-carbazol-9-ylphenyl)-N-(3-phenanthren-2-ylphenyl)-N-phenyldibenzofuran-3-amine (PubChem CID 176608220) has the molecular formula C56H36N2O and a molecular weight of 752.92 g/mol. Its IUPAC name is 4-(4-carbazol-9-ylphenyl)-N-(3-phenanthren-2-ylphenyl)-N-phenyldibenzofuran-3-amine.

Molecular Properties

Compound Name4-(4-carbazol-9-ylphenyl)-N-(3-phenanthren-2-ylphenyl)-N-phenyldibenzofuran-3-amine
PubChem CID176608220
Molecular FormulaC56H36N2O
Molecular Weight752.92 g/mol
Exact Mass752.28
IUPAC Name4-(4-carbazol-9-ylphenyl)-N-(3-phenanthren-2-ylphenyl)-N-phenyldibenzofuran-3-amine
SMILESc1ccc(N(c2cccc(-c3ccc4c(ccc5ccccc54)c3)c2)c2ccc3c(oc4ccccc43)c2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C56H36N2O/c1-2-15-42(16-3-1)57(44-17-12-14-39(36-44)40-29-32-46-41(35-40)26-25-37-13-4-5-18-45(37)46)53-34-33-50-49-21-8-11-24-54(49)59-56(50)55(53)38-27-30-43(31-28-38)58-51-22-9-6-19-47(51)48-20-7-10-23-52(48)58/h1-36H
InChIKeyWIOQLUZGHIQGLZ-UHFFFAOYSA-N
XLogP15.79
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.92
LogP ≤ 515.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-(4-carbazol-9-ylphenyl)-N,N-diphenyldibenzofuran-3-amine
CID 176609874
4-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176608752
4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine
CID 176608726
4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine
CID 176608956
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)-3-phenanthren-2-ylaniline
CID 147669790
4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine
CID 176607817
4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 176609511
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenanthren-2-ylaniline
CID 147662052
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)phenanthren-2-amine
CID 153314772
4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine
CID 176608424
4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-phenanthren-9-yldibenzofuran-3-amine
CID 176610078
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-yl-5-phenylphenyl)dibenzofuran-4-amine
CID 121329721

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-(3-phenanthren-2-ylphenyl)-N-phenyldibenzofuran-3-amine?
The IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-(3-phenanthren-2-ylphenyl)-N-phenyldibenzofuran-3-amine (CID 176608220) is 4-(4-carbazol-9-ylphenyl)-N-(3-phenanthren-2-ylphenyl)-N-phenyldibenzofuran-3-amine.
What is the SMILES notation for 4-(4-carbazol-9-ylphenyl)-N-(3-phenanthren-2-ylphenyl)-N-phenyldibenzofuran-3-amine?
The canonical SMILES for 4-(4-carbazol-9-ylphenyl)-N-(3-phenanthren-2-ylphenyl)-N-phenyldibenzofuran-3-amine is c1ccc(N(c2cccc(-c3ccc4c(ccc5ccccc54)c3)c2)c2ccc3c(oc4ccccc43)c2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of 4-(4-carbazol-9-ylphenyl)-N-(3-phenanthren-2-ylphenyl)-N-phenyldibenzofuran-3-amine?
The InChIKey is WIOQLUZGHIQGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2O/c1-2-15-42(16-3-1)57(44-17-12-14-39(36-44)40-29-32-46-41(35-40)26-25-37-13-4-5-18-45(37)46)53-34-33-50-49-21-8-11-24-54(49)59-56(50)55(53)38-27-30-43(31-28-38)58-51-22-9-6-19-47(51)48-20-7-10-23-52(48)58/h1-36H.
What are the key properties of 4-(4-carbazol-9-ylphenyl)-N-(3-phenanthren-2-ylphenyl)-N-phenyldibenzofuran-3-amine?
4-(4-carbazol-9-ylphenyl)-N-(3-phenanthren-2-ylphenyl)-N-phenyldibenzofuran-3-amine has a molecular weight of 752.92 g/mol, XLogP of 15.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbazol-9-ylphenyl)-N-(3-phenanthren-2-ylphenyl)-N-phenyldibenzofuran-3-amine is sourced from PubChem (CID 176608220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).