4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-2-amine

C62H38N2O2 — CID 176609353

IUPAC4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccccc32)c(-c2cc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3cc4ccccc4c4ccccc34)cc3c2oc2ccccc23)c1
InChIInChI=1S/C62H38N2O2/c1-2-17-43-40(16-1)36-57(46-19-4-3-18-45(43)46)63(41-34-32-39(33-35-41)44-25-15-31-60-61(44)51-24-9-14-30-59(51)65-60)42-37-52(62-53(38-42)50-23-8-13-29-58(50)66-62)49-22-7-12-28-56(49)64-54-26-10-5-20-47(54)48-21-6-11-27-55(48)64/h1-38H
InChIKeyXTKCLXFGOSGBON-UHFFFAOYSA-N
MW843.00 g/mol
LogP17.69
Rot. Bonds6

About 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-2-amine

4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-2-amine (PubChem CID 176609353) has the molecular formula C62H38N2O2 and a molecular weight of 843.00 g/mol. Its IUPAC name is 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-2-amine.

Molecular Properties

Compound Name4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-2-amine
PubChem CID176609353
Molecular FormulaC62H38N2O2
Molecular Weight843.00 g/mol
Exact Mass842.29
IUPAC Name4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccccc32)c(-c2cc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3cc4ccccc4c4ccccc34)cc3c2oc2ccccc23)c1
InChIInChI=1S/C62H38N2O2/c1-2-17-43-40(16-1)36-57(46-19-4-3-18-45(43)46)63(41-34-32-39(33-35-41)44-25-15-31-60-61(44)51-24-9-14-30-59(51)65-60)42-37-52(62-53(38-42)50-23-8-13-29-58(50)66-62)49-22-7-12-28-56(49)64-54-26-10-5-20-47(54)48-21-6-11-27-55(48)64/h1-38H
InChIKeyXTKCLXFGOSGBON-UHFFFAOYSA-N
XLogP17.69
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.00
LogP ≤ 517.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)phenanthren-9-amine
CID 155398236
N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenanthren-9-amine
CID 139545332
4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-2-amine
CID 176608195
4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine
CID 176609411
4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine
CID 176609409
N-[3-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-9-amine
CID 139545044
4-(2-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 176608198
4-(2-carbazol-9-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenanthren-9-yldibenzofuran-2-amine
CID 176608126
N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-4-ylphenyl)phenanthren-3-amine
CID 139545077
N-[2-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-2-amine;N-[2-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-3-amine;N-[2-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-9-amine
CID 157329291
4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-2-amine
CID 176609549
4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4,5-diphenylphenyl)-N-(4-methylphenyl)dibenzofuran-2-amine
CID 176609116

Frequently Asked Questions

What is the IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-2-amine?
The IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-2-amine (CID 176609353) is 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-2-amine.
What is the SMILES notation for 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-2-amine?
The canonical SMILES for 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-2-amine is c1ccc(-n2c3ccccc3c3ccccc32)c(-c2cc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3cc4ccccc4c4ccccc34)cc3c2oc2ccccc23)c1.
What is the InChIKey of 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-2-amine?
The InChIKey is XTKCLXFGOSGBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N2O2/c1-2-17-43-40(16-1)36-57(46-19-4-3-18-45(43)46)63(41-34-32-39(33-35-41)44-25-15-31-60-61(44)51-24-9-14-30-59(51)65-60)42-37-52(62-53(38-42)50-23-8-13-29-58(50)66-62)49-22-7-12-28-56(49)64-54-26-10-5-20-47(54)48-21-6-11-27-55(48)64/h1-38H.
What are the key properties of 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-2-amine?
4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-2-amine has a molecular weight of 843.00 g/mol, XLogP of 17.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-2-amine is sourced from PubChem (CID 176609353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).