N-dibenzo-p-dioxin-2-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine

C42H27FN2O2 — CID 126629739

IUPACN-dibenzo-p-dioxin-2-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine
SMILESFc1ccc(-c2ccc(N(c3ccc4c(c3)Oc3ccccc3O4)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C42H27FN2O2/c43-30-18-14-28(15-19-30)29-16-20-32(21-17-29)44(34-23-25-41-42(27-34)47-40-13-7-6-12-39(40)46-41)33-22-24-38-36(26-33)35-10-4-5-11-37(35)45(38)31-8-2-1-3-9-31/h1-27H
InChIKeyMCORZPDJTVEGNX-UHFFFAOYSA-N
MW610.69 g/mol
LogP11.96
Rot. Bonds5

About N-dibenzo-p-dioxin-2-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine

N-dibenzo-p-dioxin-2-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine (PubChem CID 126629739) has the molecular formula C42H27FN2O2 and a molecular weight of 610.69 g/mol. Its IUPAC name is N-dibenzo-p-dioxin-2-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-dibenzo-p-dioxin-2-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine
PubChem CID126629739
Molecular FormulaC42H27FN2O2
Molecular Weight610.69 g/mol
Exact Mass610.21
IUPAC NameN-dibenzo-p-dioxin-2-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine
SMILESFc1ccc(-c2ccc(N(c3ccc4c(c3)Oc3ccccc3O4)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C42H27FN2O2/c43-30-18-14-28(15-19-30)29-16-20-32(21-17-29)44(34-23-25-41-42(27-34)47-40-13-7-6-12-39(40)46-41)33-22-24-38-36(26-33)35-10-4-5-11-37(35)45(38)31-8-2-1-3-9-31/h1-27H
InChIKeyMCORZPDJTVEGNX-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-2-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine?
The IUPAC name of N-dibenzo-p-dioxin-2-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine (CID 126629739) is N-dibenzo-p-dioxin-2-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-dibenzo-p-dioxin-2-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine?
The canonical SMILES for N-dibenzo-p-dioxin-2-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine is Fc1ccc(-c2ccc(N(c3ccc4c(c3)Oc3ccccc3O4)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of N-dibenzo-p-dioxin-2-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine?
The InChIKey is MCORZPDJTVEGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27FN2O2/c43-30-18-14-28(15-19-30)29-16-20-32(21-17-29)44(34-23-25-41-42(27-34)47-40-13-7-6-12-39(40)46-41)33-22-24-38-36(26-33)35-10-4-5-11-37(35)45(38)31-8-2-1-3-9-31/h1-27H.
What are the key properties of N-dibenzo-p-dioxin-2-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine?
N-dibenzo-p-dioxin-2-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-2-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine is sourced from PubChem (CID 126629739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).