N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-2-amine

C54H34N2O2 — CID 168814780

IUPACN-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc32)cc1
InChIInChI=1S/C54H34N2O2/c1-2-11-38(12-3-1)56-49-18-7-4-13-43(49)44-31-30-41(34-50(44)56)55(39-26-21-35(22-27-39)37-25-32-53-48(33-37)46-15-6-8-19-51(46)57-53)40-28-23-36(24-29-40)42-16-10-17-47-45-14-5-9-20-52(45)58-54(42)47/h1-34H
InChIKeyUZDZTKWUICKXLF-UHFFFAOYSA-N
MW742.88 g/mol
LogP15.39
Rot. Bonds6

About N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-2-amine

N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-2-amine (PubChem CID 168814780) has the molecular formula C54H34N2O2 and a molecular weight of 742.88 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-2-amine
PubChem CID168814780
Molecular FormulaC54H34N2O2
Molecular Weight742.88 g/mol
Exact Mass742.26
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc32)cc1
InChIInChI=1S/C54H34N2O2/c1-2-11-38(12-3-1)56-49-18-7-4-13-43(49)44-31-30-41(34-50(44)56)55(39-26-21-35(22-27-39)37-25-32-53-48(33-37)46-15-6-8-19-51(46)57-53)40-28-23-36(24-29-40)42-16-10-17-47-45-14-5-9-20-52(45)58-54(42)47/h1-34H
InChIKeyUZDZTKWUICKXLF-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

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-2-amine?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-2-amine (CID 168814780) is N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-2-amine.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-2-amine?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-2-amine is c1ccc(-n2c3ccccc3c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc32)cc1.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-2-amine?
The InChIKey is UZDZTKWUICKXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O2/c1-2-11-38(12-3-1)56-49-18-7-4-13-43(49)44-31-30-41(34-50(44)56)55(39-26-21-35(22-27-39)37-25-32-53-48(33-37)46-15-6-8-19-51(46)57-53)40-28-23-36(24-29-40)42-16-10-17-47-45-14-5-9-20-52(45)58-54(42)47/h1-34H.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-2-amine?
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-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 N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-2-amine is sourced from PubChem (CID 168814780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).