4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-2-amine

C54H34N2O2 — CID 176609649

IUPAC4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-2-amine
SMILESc1ccc(N(c2ccc(-c3cccc4oc5ccccc5c34)cc2)c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c3oc4ccccc4c3c2)cc1
InChIInChI=1S/C54H34N2O2/c1-2-15-37(16-3-1)55(38-30-28-35(29-31-38)41-22-13-27-52-53(41)45-21-7-11-26-51(45)57-52)40-33-46(54-47(34-40)44-20-6-10-25-50(44)58-54)36-14-12-17-39(32-36)56-48-23-8-4-18-42(48)43-19-5-9-24-49(43)56/h1-34H
InChIKeyVJEQIBWMLSLDMD-UHFFFAOYSA-N
MW742.88 g/mol
LogP15.39
Rot. Bonds6

About 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-2-amine

4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-2-amine (PubChem CID 176609649) has the molecular formula C54H34N2O2 and a molecular weight of 742.88 g/mol. Its IUPAC name is 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-2-amine.

Molecular Properties

Compound Name4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-2-amine
PubChem CID176609649
Molecular FormulaC54H34N2O2
Molecular Weight742.88 g/mol
Exact Mass742.26
IUPAC Name4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-2-amine
SMILESc1ccc(N(c2ccc(-c3cccc4oc5ccccc5c34)cc2)c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c3oc4ccccc4c3c2)cc1
InChIInChI=1S/C54H34N2O2/c1-2-15-37(16-3-1)55(38-30-28-35(29-31-38)41-22-13-27-52-53(41)45-21-7-11-26-51(45)57-52)40-33-46(54-47(34-40)44-20-6-10-25-50(44)58-54)36-14-12-17-39(32-36)56-48-23-8-4-18-42(48)43-19-5-9-24-49(43)56/h1-34H
InChIKeyVJEQIBWMLSLDMD-UHFFFAOYSA-N
XLogP15.39
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.88
LogP ≤ 515.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 176608559
4-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-N-phenylaniline
CID 155398448
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 155398223
4-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 176609231
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-phenylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-4-phenylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
CID 161206452
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline
CID 155398161
4-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 176608145
3-carbazol-9-yl-N-(4-dibenzofuran-1-ylphenyl)-N-phenylaniline
CID 155397910
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-3-phenylaniline
CID 155398563
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-3-(3-phenylphenyl)aniline
CID 155398231
N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]aniline
CID 88862471
4-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]-N-phenylaniline
CID 153314587

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-2-amine?
The IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-2-amine (CID 176609649) is 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-2-amine.
What is the SMILES notation for 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-2-amine?
The canonical SMILES for 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-2-amine is c1ccc(N(c2ccc(-c3cccc4oc5ccccc5c34)cc2)c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c3oc4ccccc4c3c2)cc1.
What is the InChIKey of 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-2-amine?
The InChIKey is VJEQIBWMLSLDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O2/c1-2-15-37(16-3-1)55(38-30-28-35(29-31-38)41-22-13-27-52-53(41)45-21-7-11-26-51(45)57-52)40-33-46(54-47(34-40)44-20-6-10-25-50(44)58-54)36-14-12-17-39(32-36)56-48-23-8-4-18-42(48)43-19-5-9-24-49(43)56/h1-34H.
What are the key properties of 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-2-amine?
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-2-amine has a molecular weight of 742.88 g/mol, XLogP of 15.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-2-amine is sourced from PubChem (CID 176609649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).