N-[4-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine

C56H36N2O — CID 168809143

IUPACN-[4-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine
SMILESc1ccc2cc(-c3ccc(N(c4ccc(-c5c(-n6c7ccccc7c7ccccc76)ccc6ccccc56)cc4)c4cccc5c4oc4ccccc45)cc3)ccc2c1
InChIInChI=1S/C56H36N2O/c1-2-14-41-36-42(25-24-37(41)12-1)38-26-31-43(32-27-38)57(53-22-11-19-49-48-18-7-10-23-54(48)59-56(49)53)44-33-28-40(29-34-44)55-45-15-4-3-13-39(45)30-35-52(55)58-50-20-8-5-16-46(50)47-17-6-9-21-51(47)58/h1-36H
InChIKeyFDZOSMNYGGJMJZ-UHFFFAOYSA-N
MW752.92 g/mol
LogP15.79
Rot. Bonds6

About N-[4-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine

N-[4-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine (PubChem CID 168809143) has the molecular formula C56H36N2O and a molecular weight of 752.92 g/mol. Its IUPAC name is N-[4-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[4-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine
PubChem CID168809143
Molecular FormulaC56H36N2O
Molecular Weight752.92 g/mol
Exact Mass752.28
IUPAC NameN-[4-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine
SMILESc1ccc2cc(-c3ccc(N(c4ccc(-c5c(-n6c7ccccc7c7ccccc76)ccc6ccccc56)cc4)c4cccc5c4oc4ccccc45)cc3)ccc2c1
InChIInChI=1S/C56H36N2O/c1-2-14-41-36-42(25-24-37(41)12-1)38-26-31-43(32-27-38)57(53-22-11-19-49-48-18-7-10-23-54(48)59-56(49)53)44-33-28-40(29-34-44)55-45-15-4-3-13-39(45)30-35-52(55)58-50-20-8-5-16-46(50)47-17-6-9-21-51(47)58/h1-36H
InChIKeyFDZOSMNYGGJMJZ-UHFFFAOYSA-N
XLogP15.79
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.92
LogP ≤ 515.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-[4-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine (CID 168809143) is N-[4-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-[4-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-[4-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine is c1ccc2cc(-c3ccc(N(c4ccc(-c5c(-n6c7ccccc7c7ccccc76)ccc6ccccc56)cc4)c4cccc5c4oc4ccccc45)cc3)ccc2c1.
What is the InChIKey of N-[4-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine?
The InChIKey is FDZOSMNYGGJMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2O/c1-2-14-41-36-42(25-24-37(41)12-1)38-26-31-43(32-27-38)57(53-22-11-19-49-48-18-7-10-23-54(48)59-56(49)53)44-33-28-40(29-34-44)55-45-15-4-3-13-39(45)30-35-52(55)58-50-20-8-5-16-46(50)47-17-6-9-21-51(47)58/h1-36H.
What are the key properties of N-[4-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine?
N-[4-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine has a molecular weight of 752.92 g/mol, XLogP of 15.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 168809143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).