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

C48H31FN2O — CID 90194063

IUPACN-[4-(4-fluorophenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine
SMILESFc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C48H31FN2O/c49-36-21-14-32(15-22-36)33-16-23-38(24-17-33)50(40-27-28-43-42-11-5-7-13-47(42)52-48(43)31-40)39-25-18-34(19-26-39)35-20-29-46-44(30-35)41-10-4-6-12-45(41)51(46)37-8-2-1-3-9-37/h1-31H
InChIKeyWDQVXJBFZCIQIC-UHFFFAOYSA-N
MW670.79 g/mol
LogP13.63
Rot. Bonds6

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

N-[4-(4-fluorophenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine (PubChem CID 90194063) 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-3-amine.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine
PubChem CID90194063
Molecular FormulaC48H31FN2O
Molecular Weight670.79 g/mol
Exact Mass670.24
IUPAC NameN-[4-(4-fluorophenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine
SMILESFc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C48H31FN2O/c49-36-21-14-32(15-22-36)33-16-23-38(24-17-33)50(40-27-28-43-42-11-5-7-13-47(42)52-48(43)31-40)39-25-18-34(19-26-39)35-20-29-46-44(30-35)41-10-4-6-12-45(41)51(46)37-8-2-1-3-9-37/h1-31H
InChIKeyWDQVXJBFZCIQIC-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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-[4-(4-fluorophenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine (CID 90194063) is N-[4-(4-fluorophenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-[4-(4-fluorophenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-[4-(4-fluorophenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine is Fc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc1.
What is the InChIKey of N-[4-(4-fluorophenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine?
The InChIKey is WDQVXJBFZCIQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31FN2O/c49-36-21-14-32(15-22-36)33-16-23-38(24-17-33)50(40-27-28-43-42-11-5-7-13-47(42)52-48(43)31-40)39-25-18-34(19-26-39)35-20-29-46-44(30-35)41-10-4-6-12-45(41)51(46)37-8-2-1-3-9-37/h1-31H.
What are the key properties of N-[4-(4-fluorophenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine?
N-[4-(4-fluorophenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-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-3-amine is sourced from PubChem (CID 90194063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).