N-dibenzo-p-dioxin-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine

C42H27FN2O2 — CID 126629799

IUPACN-dibenzo-p-dioxin-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine
SMILESFc1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cccc4c3Oc3ccccc3O4)cc2)cc1
InChIInChI=1S/C42H27FN2O2/c43-30-21-17-28(18-22-30)29-19-23-32(24-20-29)44(38-13-8-16-41-42(38)47-40-15-7-6-14-39(40)46-41)33-25-26-37-35(27-33)34-11-4-5-12-36(34)45(37)31-9-2-1-3-10-31/h1-27H
InChIKeyIXTOBJYUKXMOID-UHFFFAOYSA-N
MW610.69 g/mol
LogP11.96
Rot. Bonds5

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

N-dibenzo-p-dioxin-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine (PubChem CID 126629799) has the molecular formula C42H27FN2O2 and a molecular weight of 610.69 g/mol. Its IUPAC name is N-dibenzo-p-dioxin-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-dibenzo-p-dioxin-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine
PubChem CID126629799
Molecular FormulaC42H27FN2O2
Molecular Weight610.69 g/mol
Exact Mass610.21
IUPAC NameN-dibenzo-p-dioxin-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine
SMILESFc1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cccc4c3Oc3ccccc3O4)cc2)cc1
InChIInChI=1S/C42H27FN2O2/c43-30-21-17-28(18-22-30)29-19-23-32(24-20-29)44(38-13-8-16-41-42(38)47-40-15-7-6-14-39(40)46-41)33-25-26-37-35(27-33)34-11-4-5-12-36(34)45(37)31-9-2-1-3-10-31/h1-27H
InChIKeyIXTOBJYUKXMOID-UHFFFAOYSA-N
XLogP11.96
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.69
LogP ≤ 511.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-dibenzo-p-dioxin-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine?
The IUPAC name of N-dibenzo-p-dioxin-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine (CID 126629799) is N-dibenzo-p-dioxin-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-dibenzo-p-dioxin-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine?
The canonical SMILES for N-dibenzo-p-dioxin-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine is Fc1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cccc4c3Oc3ccccc3O4)cc2)cc1.
What is the InChIKey of N-dibenzo-p-dioxin-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine?
The InChIKey is IXTOBJYUKXMOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27FN2O2/c43-30-21-17-28(18-22-30)29-19-23-32(24-20-29)44(38-13-8-16-41-42(38)47-40-15-7-6-14-39(40)46-41)33-25-26-37-35(27-33)34-11-4-5-12-36(34)45(37)31-9-2-1-3-10-31/h1-27H.
What are the key properties of N-dibenzo-p-dioxin-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine?
N-dibenzo-p-dioxin-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine has a molecular weight of 610.69 g/mol, XLogP of 11.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzo-p-dioxin-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine is sourced from PubChem (CID 126629799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).