N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-2-amine

C36H23FN2O — CID 126764261

IUPACN-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-2-amine
SMILESFc1ccc(-n2c3ccccc3c3cc(-c4ccc(Nc5ccc6oc7ccccc7c6c5)cc4)ccc32)cc1
InChIInChI=1S/C36H23FN2O/c37-25-12-17-28(18-13-25)39-33-7-3-1-5-29(33)31-21-24(11-19-34(31)39)23-9-14-26(15-10-23)38-27-16-20-36-32(22-27)30-6-2-4-8-35(30)40-36/h1-22,38H
InChIKeyBZPUEXLRIONKSD-UHFFFAOYSA-N
MW518.59 g/mol
LogP10.23
Rot. Bonds4

About N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-2-amine

N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-2-amine (PubChem CID 126764261) has the molecular formula C36H23FN2O and a molecular weight of 518.59 g/mol. Its IUPAC name is N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-2-amine
PubChem CID126764261
Molecular FormulaC36H23FN2O
Molecular Weight518.59 g/mol
Exact Mass518.18
IUPAC NameN-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-2-amine
SMILESFc1ccc(-n2c3ccccc3c3cc(-c4ccc(Nc5ccc6oc7ccccc7c6c5)cc4)ccc32)cc1
InChIInChI=1S/C36H23FN2O/c37-25-12-17-28(18-13-25)39-33-7-3-1-5-29(33)31-21-24(11-19-34(31)39)23-9-14-26(15-10-23)38-27-16-20-36-32(22-27)30-6-2-4-8-35(30)40-36/h1-22,38H
InChIKeyBZPUEXLRIONKSD-UHFFFAOYSA-N
XLogP10.23
TPSA30.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.59
LogP ≤ 510.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-2-amine?
The IUPAC name of N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-2-amine (CID 126764261) is N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-2-amine.
What is the SMILES notation for N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-2-amine?
The canonical SMILES for N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-2-amine is Fc1ccc(-n2c3ccccc3c3cc(-c4ccc(Nc5ccc6oc7ccccc7c6c5)cc4)ccc32)cc1.
What is the InChIKey of N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-2-amine?
The InChIKey is BZPUEXLRIONKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23FN2O/c37-25-12-17-28(18-13-25)39-33-7-3-1-5-29(33)31-21-24(11-19-34(31)39)23-9-14-26(15-10-23)38-27-16-20-36-32(22-27)30-6-2-4-8-35(30)40-36/h1-22,38H.
What are the key properties of N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-2-amine?
N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-2-amine has a molecular weight of 518.59 g/mol, XLogP of 10.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 126764261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).