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

C54H34N2O2 — CID 176609231

IUPAC4-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-2-amine
SMILESc1ccc(N(c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3oc4ccccc4c3c2)c2ccccc2-c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C54H34N2O2/c1-2-15-36(16-3-1)55(47-23-9-6-19-41(47)43-22-14-28-52-53(43)44-21-8-13-27-51(44)57-52)38-33-45(54-46(34-38)42-20-7-12-26-50(42)58-54)35-29-31-37(32-30-35)56-48-24-10-4-17-39(48)40-18-5-11-25-49(40)56/h1-34H
InChIKeyVNCHEWADQSASCR-UHFFFAOYSA-N
MW742.88 g/mol
LogP15.39
Rot. Bonds6

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

4-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-2-amine (PubChem CID 176609231) has the molecular formula C54H34N2O2 and a molecular weight of 742.88 g/mol. Its IUPAC name is 4-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-2-amine.

Molecular Properties

Compound Name4-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-2-amine
PubChem CID176609231
Molecular FormulaC54H34N2O2
Molecular Weight742.88 g/mol
Exact Mass742.26
IUPAC Name4-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-2-amine
SMILESc1ccc(N(c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3oc4ccccc4c3c2)c2ccccc2-c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C54H34N2O2/c1-2-15-36(16-3-1)55(47-23-9-6-19-41(47)43-22-14-28-52-53(43)44-21-8-13-27-51(44)57-52)38-33-45(54-46(34-38)42-20-7-12-26-50(42)58-54)35-29-31-37(32-30-35)56-48-24-10-4-17-39(48)40-18-5-11-25-49(40)56/h1-34H
InChIKeyVNCHEWADQSASCR-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-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 176609649
4-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 176608145
N-(4-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-[3-(2-phenylphenyl)phenyl]aniline
CID 155398745
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-[3-(3-phenylphenyl)phenyl]aniline
CID 155398660
N-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-2-phenylaniline
CID 155649255
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-phenylaniline
CID 164822828
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline
CID 155398224
4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-2-amine
CID 176609549
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)dibenzofuran-1-amine
CID 164822786
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenylaniline
CID 58510633
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-1-ylphenyl)phenanthren-3-amine
CID 155398716
4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 176607836

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-2-amine?
The IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-2-amine (CID 176609231) is 4-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-2-amine.
What is the SMILES notation for 4-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-2-amine?
The canonical SMILES for 4-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-2-amine is c1ccc(N(c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3oc4ccccc4c3c2)c2ccccc2-c2cccc3oc4ccccc4c23)cc1.
What is the InChIKey of 4-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-2-amine?
The InChIKey is VNCHEWADQSASCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O2/c1-2-15-36(16-3-1)55(47-23-9-6-19-41(47)43-22-14-28-52-53(43)44-21-8-13-27-51(44)57-52)38-33-45(54-46(34-38)42-20-7-12-26-50(42)58-54)35-29-31-37(32-30-35)56-48-24-10-4-17-39(48)40-18-5-11-25-49(40)56/h1-34H.
What are the key properties of 4-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-2-amine?
4-(4-carbazol-9-ylphenyl)-N-(2-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-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-2-amine is sourced from PubChem (CID 176609231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).