N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]quinolin-8-amine

C51H32FN3O — CID 169073608

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]quinolin-8-amine
SMILESFc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc4cccnc34)cc2)c1
InChIInChI=1S/C51H32FN3O/c52-37-24-29-47-45(32-37)42-13-1-3-17-46(42)55(47)40-12-5-10-36(31-40)33-20-25-38(26-21-33)54(48-18-6-9-35-11-8-30-53-50(35)48)39-27-22-34(23-28-39)41-15-7-16-44-43-14-2-4-19-49(43)56-51(41)44/h1-32H
InChIKeyOWHRJTFPSHFJED-UHFFFAOYSA-N
MW721.84 g/mol
LogP14.17
Rot. Bonds6

About N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]quinolin-8-amine

N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]quinolin-8-amine (PubChem CID 169073608) has the molecular formula C51H32FN3O and a molecular weight of 721.84 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]quinolin-8-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]quinolin-8-amine
PubChem CID169073608
Molecular FormulaC51H32FN3O
Molecular Weight721.84 g/mol
Exact Mass721.25
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]quinolin-8-amine
SMILESFc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc4cccnc34)cc2)c1
InChIInChI=1S/C51H32FN3O/c52-37-24-29-47-45(32-37)42-13-1-3-17-46(42)55(47)40-12-5-10-36(31-40)33-20-25-38(26-21-33)54(48-18-6-9-35-11-8-30-53-50(35)48)39-27-22-34(23-28-39)41-15-7-16-44-43-14-2-4-19-49(43)56-51(41)44/h1-32H
InChIKeyOWHRJTFPSHFJED-UHFFFAOYSA-N
XLogP14.17
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.84
LogP ≤ 514.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]quinolin-8-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]quinolin-8-amine (CID 169073608) is N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]quinolin-8-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]quinolin-8-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]quinolin-8-amine is Fc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc4cccnc34)cc2)c1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]quinolin-8-amine?
The InChIKey is OWHRJTFPSHFJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32FN3O/c52-37-24-29-47-45(32-37)42-13-1-3-17-46(42)55(47)40-12-5-10-36(31-40)33-20-25-38(26-21-33)54(48-18-6-9-35-11-8-30-53-50(35)48)39-27-22-34(23-28-39)41-15-7-16-44-43-14-2-4-19-49(43)56-51(41)44/h1-32H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]quinolin-8-amine?
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]quinolin-8-amine has a molecular weight of 721.84 g/mol, XLogP of 14.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]quinolin-8-amine is sourced from PubChem (CID 169073608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).