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

C62H40N2O — CID 176607836

IUPAC4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4ccc4ccccc45)cc3)c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C62H40N2O/c1-2-13-41(14-3-1)42-25-32-46(33-26-42)63(47-34-27-44(28-35-47)51-20-12-21-52-50-16-5-4-15-43(50)31-38-53(51)52)49-39-57(62-58(40-49)56-19-8-11-24-61(56)65-62)45-29-36-48(37-30-45)64-59-22-9-6-17-54(59)55-18-7-10-23-60(55)64/h1-40H
InChIKeyVPRLPZYOYHBJMC-UHFFFAOYSA-N
MW829.02 g/mol
LogP17.46
Rot. Bonds7

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

4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine (PubChem CID 176607836) has the molecular formula C62H40N2O and a molecular weight of 829.02 g/mol. Its IUPAC name is 4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound Name4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
PubChem CID176607836
Molecular FormulaC62H40N2O
Molecular Weight829.02 g/mol
Exact Mass828.31
IUPAC Name4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4ccc4ccccc45)cc3)c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C62H40N2O/c1-2-13-41(14-3-1)42-25-32-46(33-26-42)63(47-34-27-44(28-35-47)51-20-12-21-52-50-16-5-4-15-43(50)31-38-53(51)52)49-39-57(62-58(40-49)56-19-8-11-24-61(56)65-62)45-29-36-48(37-30-45)64-59-22-9-6-17-54(59)55-18-7-10-23-60(55)64/h1-40H
InChIKeyVPRLPZYOYHBJMC-UHFFFAOYSA-N
XLogP17.46
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.02
LogP ≤ 517.46
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-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 176608145
4-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 176608559
N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
CID 170926661
N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-yl-3-phenyl-N-(4-phenylphenyl)aniline
CID 153004829
3-N-(4-dibenzofuran-4-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 146664196
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenylaniline
CID 58510633
N-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 58510827
N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90207163
N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 58510687
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 176609649
4-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 176609231
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 166939040

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine (CID 176607836) is 4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for 4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for 4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4ccc4ccccc45)cc3)c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4oc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of 4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is VPRLPZYOYHBJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N2O/c1-2-13-41(14-3-1)42-25-32-46(33-26-42)63(47-34-27-44(28-35-47)51-20-12-21-52-50-16-5-4-15-43(50)31-38-53(51)52)49-39-57(62-58(40-49)56-19-8-11-24-61(56)65-62)45-29-36-48(37-30-45)64-59-22-9-6-17-54(59)55-18-7-10-23-60(55)64/h1-40H.
What are the key properties of 4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 829.02 g/mol, XLogP of 17.46, 7 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-(4-phenanthren-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 176607836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).