N-[4-(4-fluorophenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-amine

C48H31FN2O — CID 138716886

IUPACN-[4-(4-fluorophenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-amine
SMILESFc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3cccc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C48H31FN2O/c49-36-24-17-32(18-25-36)33-19-26-38(27-20-33)50(45-14-8-16-47-48(45)41-12-5-7-15-46(41)52-47)39-28-21-34(22-29-39)35-23-30-44-42(31-35)40-11-4-6-13-43(40)51(44)37-9-2-1-3-10-37/h1-31H
InChIKeyFJGSHUOZLLQRRE-UHFFFAOYSA-N
MW670.79 g/mol
LogP13.63
Rot. Bonds6

About N-[4-(4-fluorophenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-amine

N-[4-(4-fluorophenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-amine (PubChem CID 138716886) has the molecular formula C48H31FN2O and a molecular weight of 670.79 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-amine
PubChem CID138716886
Molecular FormulaC48H31FN2O
Molecular Weight670.79 g/mol
Exact Mass670.24
IUPAC NameN-[4-(4-fluorophenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-amine
SMILESFc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3cccc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C48H31FN2O/c49-36-24-17-32(18-25-36)33-19-26-38(27-20-33)50(45-14-8-16-47-48(45)41-12-5-7-15-46(41)52-47)39-28-21-34(22-29-39)35-23-30-44-42(31-35)40-11-4-6-13-43(40)51(44)37-9-2-1-3-10-37/h1-31H
InChIKeyFJGSHUOZLLQRRE-UHFFFAOYSA-N
XLogP13.63
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.79
LogP ≤ 513.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-(4-fluorophenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-[4-(4-fluorophenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-amine (CID 138716886) is N-[4-(4-fluorophenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-[4-(4-fluorophenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-[4-(4-fluorophenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-amine is Fc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3cccc4oc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-[4-(4-fluorophenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-amine?
The InChIKey is FJGSHUOZLLQRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31FN2O/c49-36-24-17-32(18-25-36)33-19-26-38(27-20-33)50(45-14-8-16-47-48(45)41-12-5-7-15-46(41)52-47)39-28-21-34(22-29-39)35-23-30-44-42(31-35)40-11-4-6-13-43(40)51(44)37-9-2-1-3-10-37/h1-31H.
What are the key properties of N-[4-(4-fluorophenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-amine?
N-[4-(4-fluorophenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-amine has a molecular weight of 670.79 g/mol, XLogP of 13.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 138716886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).