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

C56H36N2O — CID 155398314

IUPACN-(3-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-(3-phenanthren-2-ylphenyl)aniline
SMILESc1cc(-c2ccc3c(ccc4ccccc43)c2)cc(N(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2ccccc2-c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C56H36N2O/c1-2-19-44-37(14-1)30-31-40-34-39(32-33-45(40)44)38-15-11-16-41(35-38)57(42-17-12-18-43(36-42)58-52-26-8-3-20-46(52)47-21-4-9-27-53(47)58)51-25-7-5-22-48(51)49-24-13-29-55-56(49)50-23-6-10-28-54(50)59-55/h1-36H
InChIKeyJJFGNAACNNNWSK-UHFFFAOYSA-N
MW752.92 g/mol
LogP15.79
Rot. Bonds6

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

N-(3-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-(3-phenanthren-2-ylphenyl)aniline (PubChem CID 155398314) has the molecular formula C56H36N2O and a molecular weight of 752.92 g/mol. Its IUPAC name is N-(3-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-(3-phenanthren-2-ylphenyl)aniline.

Molecular Properties

Compound NameN-(3-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-(3-phenanthren-2-ylphenyl)aniline
PubChem CID155398314
Molecular FormulaC56H36N2O
Molecular Weight752.92 g/mol
Exact Mass752.28
IUPAC NameN-(3-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-(3-phenanthren-2-ylphenyl)aniline
SMILESc1cc(-c2ccc3c(ccc4ccccc43)c2)cc(N(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2ccccc2-c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C56H36N2O/c1-2-19-44-37(14-1)30-31-40-34-39(32-33-45(40)44)38-15-11-16-41(35-38)57(42-17-12-18-43(36-42)58-52-26-8-3-20-46(52)47-21-4-9-27-53(47)58)51-25-7-5-22-48(51)49-24-13-29-55-56(49)50-23-6-10-28-54(50)59-55/h1-36H
InChIKeyJJFGNAACNNNWSK-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-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 155398358
N-(3-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-[3-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167325919
N-(3-carbazol-9-ylphenyl)-3-dibenzofuran-1-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 155649180
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-(3-phenanthren-2-ylphenyl)aniline
CID 153314580
N-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-3-ylphenyl)-2-naphthalen-1-ylaniline
CID 153314589
N-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)naphthalen-1-amine
CID 155398283
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-3-phenanthren-2-ylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-2-(4-phenylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-3-(4-phenylphenyl)aniline
CID 158530680
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[3-(4-phenylphenyl)phenyl]aniline
CID 155398509
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(2-phenanthren-9-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(3-phenanthren-9-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-phenanthren-9-ylphenyl)aniline
CID 158468213
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-1-ylphenyl)naphthalen-2-amine
CID 146719839
N-(4-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-[3-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167325205
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenanthren-2-ylaniline
CID 147662052

Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-(3-phenanthren-2-ylphenyl)aniline?
The IUPAC name of N-(3-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-(3-phenanthren-2-ylphenyl)aniline (CID 155398314) is N-(3-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-(3-phenanthren-2-ylphenyl)aniline.
What is the SMILES notation for N-(3-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-(3-phenanthren-2-ylphenyl)aniline?
The canonical SMILES for N-(3-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-(3-phenanthren-2-ylphenyl)aniline is c1cc(-c2ccc3c(ccc4ccccc43)c2)cc(N(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2ccccc2-c2cccc3oc4ccccc4c23)c1.
What is the InChIKey of N-(3-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-(3-phenanthren-2-ylphenyl)aniline?
The InChIKey is JJFGNAACNNNWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2O/c1-2-19-44-37(14-1)30-31-40-34-39(32-33-45(40)44)38-15-11-16-41(35-38)57(42-17-12-18-43(36-42)58-52-26-8-3-20-46(52)47-21-4-9-27-53(47)58)51-25-7-5-22-48(51)49-24-13-29-55-56(49)50-23-6-10-28-54(50)59-55/h1-36H.
What are the key properties of N-(3-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-(3-phenanthren-2-ylphenyl)aniline?
N-(3-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-(3-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)-2-dibenzofuran-1-yl-N-(3-phenanthren-2-ylphenyl)aniline is sourced from PubChem (CID 155398314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).