N-(3-carbazol-9-ylphenyl)-3-dibenzofuran-1-yl-N-(4-phenanthren-2-ylphenyl)aniline

C56H36N2O — CID 155649180

IUPACN-(3-carbazol-9-ylphenyl)-3-dibenzofuran-1-yl-N-(4-phenanthren-2-ylphenyl)aniline
SMILESc1cc(-c2cccc3oc4ccccc4c23)cc(N(c2ccc(-c3ccc4c(ccc5ccccc54)c3)cc2)c2cccc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C56H36N2O/c1-2-17-46-38(12-1)26-27-41-34-39(30-33-47(41)46)37-28-31-42(32-29-37)57(43-14-9-13-40(35-43)48-21-11-25-55-56(48)51-20-5-8-24-54(51)59-55)44-15-10-16-45(36-44)58-52-22-6-3-18-49(52)50-19-4-7-23-53(50)58/h1-36H
InChIKeyVUWCFRJBCUUVFH-UHFFFAOYSA-N
MW752.92 g/mol
LogP15.79
Rot. Bonds6

About N-(3-carbazol-9-ylphenyl)-3-dibenzofuran-1-yl-N-(4-phenanthren-2-ylphenyl)aniline

N-(3-carbazol-9-ylphenyl)-3-dibenzofuran-1-yl-N-(4-phenanthren-2-ylphenyl)aniline (PubChem CID 155649180) has the molecular formula C56H36N2O and a molecular weight of 752.92 g/mol. Its IUPAC name is N-(3-carbazol-9-ylphenyl)-3-dibenzofuran-1-yl-N-(4-phenanthren-2-ylphenyl)aniline.

Molecular Properties

Compound NameN-(3-carbazol-9-ylphenyl)-3-dibenzofuran-1-yl-N-(4-phenanthren-2-ylphenyl)aniline
PubChem CID155649180
Molecular FormulaC56H36N2O
Molecular Weight752.92 g/mol
Exact Mass752.28
IUPAC NameN-(3-carbazol-9-ylphenyl)-3-dibenzofuran-1-yl-N-(4-phenanthren-2-ylphenyl)aniline
SMILESc1cc(-c2cccc3oc4ccccc4c23)cc(N(c2ccc(-c3ccc4c(ccc5ccccc54)c3)cc2)c2cccc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C56H36N2O/c1-2-17-46-38(12-1)26-27-41-34-39(30-33-47(41)46)37-28-31-42(32-29-37)57(43-14-9-13-40(35-43)48-21-11-25-55-56(48)51-20-5-8-24-54(51)59-55)44-15-10-16-45(36-44)58-52-22-6-3-18-49(52)50-19-4-7-23-53(50)58/h1-36H
InChIKeyVUWCFRJBCUUVFH-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

N-[4-(3-carbazol-9-ylphenyl)phenyl]-7-dibenzofuran-1-yl-N-(4-phenylphenyl)phenanthren-2-amine
CID 155398710
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)phenanthren-2-amine
CID 155397942
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-1-yl-N-(3-phenanthren-9-ylphenyl)aniline
CID 155398217
N-[4-(4-carbazol-9-ylphenyl)phenyl]-7-dibenzofuran-1-yl-N-(3-phenylphenyl)phenanthren-2-amine
CID 155398335
N-(3-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-(3-phenanthren-2-ylphenyl)aniline
CID 155398314
3-carbazol-9-yl-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 155398643
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)-3-naphthalen-2-ylaniline
CID 155398374
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-3-phenylaniline
CID 155398563
N-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)naphthalen-2-amine
CID 155398285
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)phenanthren-2-amine
CID 155398702
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 155398218
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-(3-phenanthren-2-ylphenyl)aniline
CID 153314580

Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-ylphenyl)-3-dibenzofuran-1-yl-N-(4-phenanthren-2-ylphenyl)aniline?
The IUPAC name of N-(3-carbazol-9-ylphenyl)-3-dibenzofuran-1-yl-N-(4-phenanthren-2-ylphenyl)aniline (CID 155649180) is N-(3-carbazol-9-ylphenyl)-3-dibenzofuran-1-yl-N-(4-phenanthren-2-ylphenyl)aniline.
What is the SMILES notation for N-(3-carbazol-9-ylphenyl)-3-dibenzofuran-1-yl-N-(4-phenanthren-2-ylphenyl)aniline?
The canonical SMILES for N-(3-carbazol-9-ylphenyl)-3-dibenzofuran-1-yl-N-(4-phenanthren-2-ylphenyl)aniline is c1cc(-c2cccc3oc4ccccc4c23)cc(N(c2ccc(-c3ccc4c(ccc5ccccc54)c3)cc2)c2cccc(-n3c4ccccc4c4ccccc43)c2)c1.
What is the InChIKey of N-(3-carbazol-9-ylphenyl)-3-dibenzofuran-1-yl-N-(4-phenanthren-2-ylphenyl)aniline?
The InChIKey is VUWCFRJBCUUVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2O/c1-2-17-46-38(12-1)26-27-41-34-39(30-33-47(41)46)37-28-31-42(32-29-37)57(43-14-9-13-40(35-43)48-21-11-25-55-56(48)51-20-5-8-24-54(51)59-55)44-15-10-16-45(36-44)58-52-22-6-3-18-49(52)50-19-4-7-23-53(50)58/h1-36H.
What are the key properties of N-(3-carbazol-9-ylphenyl)-3-dibenzofuran-1-yl-N-(4-phenanthren-2-ylphenyl)aniline?
N-(3-carbazol-9-ylphenyl)-3-dibenzofuran-1-yl-N-(4-phenanthren-2-ylphenyl)aniline 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 N-(3-carbazol-9-ylphenyl)-3-dibenzofuran-1-yl-N-(4-phenanthren-2-ylphenyl)aniline is sourced from PubChem (CID 155649180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).