N-dibenzofuran-4-yl-N-[9-(4-fluorophenyl)-9H-fluoren-2-yl]-9-phenylcarbazol-3-amine

C49H31FN2O — CID 138548943

IUPACN-dibenzofuran-4-yl-N-[9-(4-fluorophenyl)-9H-fluoren-2-yl]-9-phenylcarbazol-3-amine
SMILESFc1ccc(C2c3ccccc3-c3ccc(N(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4cccc5c4oc4ccccc45)cc32)cc1
InChIInChI=1S/C49H31FN2O/c50-32-23-21-31(22-24-32)48-40-16-5-4-13-36(40)37-27-25-34(30-43(37)48)51(46-19-10-17-41-39-15-7-9-20-47(39)53-49(41)46)35-26-28-45-42(29-35)38-14-6-8-18-44(38)52(45)33-11-2-1-3-12-33/h1-30,48H
InChIKeyOFZIMPJASANCDL-UHFFFAOYSA-N
MW682.80 g/mol
LogP13.45
Rot. Bonds5

About N-dibenzofuran-4-yl-N-[9-(4-fluorophenyl)-9H-fluoren-2-yl]-9-phenylcarbazol-3-amine

N-dibenzofuran-4-yl-N-[9-(4-fluorophenyl)-9H-fluoren-2-yl]-9-phenylcarbazol-3-amine (PubChem CID 138548943) has the molecular formula C49H31FN2O and a molecular weight of 682.80 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-N-[9-(4-fluorophenyl)-9H-fluoren-2-yl]-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-N-[9-(4-fluorophenyl)-9H-fluoren-2-yl]-9-phenylcarbazol-3-amine
PubChem CID138548943
Molecular FormulaC49H31FN2O
Molecular Weight682.80 g/mol
Exact Mass682.24
IUPAC NameN-dibenzofuran-4-yl-N-[9-(4-fluorophenyl)-9H-fluoren-2-yl]-9-phenylcarbazol-3-amine
SMILESFc1ccc(C2c3ccccc3-c3ccc(N(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4cccc5c4oc4ccccc45)cc32)cc1
InChIInChI=1S/C49H31FN2O/c50-32-23-21-31(22-24-32)48-40-16-5-4-13-36(40)37-27-25-34(30-43(37)48)51(46-19-10-17-41-39-15-7-9-20-47(39)53-49(41)46)35-26-28-45-42(29-35)38-14-6-8-18-44(38)52(45)33-11-2-1-3-12-33/h1-30,48H
InChIKeyOFZIMPJASANCDL-UHFFFAOYSA-N
XLogP13.45
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.80
LogP ≤ 513.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-N-[9-(4-fluorophenyl)-9H-fluoren-2-yl]-9-phenylcarbazol-3-amine?
The IUPAC name of N-dibenzofuran-4-yl-N-[9-(4-fluorophenyl)-9H-fluoren-2-yl]-9-phenylcarbazol-3-amine (CID 138548943) is N-dibenzofuran-4-yl-N-[9-(4-fluorophenyl)-9H-fluoren-2-yl]-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-N-[9-(4-fluorophenyl)-9H-fluoren-2-yl]-9-phenylcarbazol-3-amine?
The canonical SMILES for N-dibenzofuran-4-yl-N-[9-(4-fluorophenyl)-9H-fluoren-2-yl]-9-phenylcarbazol-3-amine is Fc1ccc(C2c3ccccc3-c3ccc(N(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4cccc5c4oc4ccccc45)cc32)cc1.
What is the InChIKey of N-dibenzofuran-4-yl-N-[9-(4-fluorophenyl)-9H-fluoren-2-yl]-9-phenylcarbazol-3-amine?
The InChIKey is OFZIMPJASANCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31FN2O/c50-32-23-21-31(22-24-32)48-40-16-5-4-13-36(40)37-27-25-34(30-43(37)48)51(46-19-10-17-41-39-15-7-9-20-47(39)53-49(41)46)35-26-28-45-42(29-35)38-14-6-8-18-44(38)52(45)33-11-2-1-3-12-33/h1-30,48H.
What are the key properties of N-dibenzofuran-4-yl-N-[9-(4-fluorophenyl)-9H-fluoren-2-yl]-9-phenylcarbazol-3-amine?
N-dibenzofuran-4-yl-N-[9-(4-fluorophenyl)-9H-fluoren-2-yl]-9-phenylcarbazol-3-amine has a molecular weight of 682.80 g/mol, XLogP of 13.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-4-yl-N-[9-(4-fluorophenyl)-9H-fluoren-2-yl]-9-phenylcarbazol-3-amine is sourced from PubChem (CID 138548943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).