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

C54H35FN2O — CID 90194011

IUPACN-[4-(4-fluorophenyl)phenyl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-3-amine
SMILESFc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C54H35FN2O/c55-42-25-18-37(19-26-42)39-22-29-45(30-23-39)56(46-31-32-49-48-11-5-7-13-53(48)58-54(49)35-46)44-27-20-38(21-28-44)36-14-16-40(17-15-36)41-24-33-52-50(34-41)47-10-4-6-12-51(47)57(52)43-8-2-1-3-9-43/h1-35H
InChIKeyGYOVJBPRCRIHAA-UHFFFAOYSA-N
MW746.89 g/mol
LogP15.29
Rot. Bonds7

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

N-[4-(4-fluorophenyl)phenyl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-3-amine (PubChem CID 90194011) has the molecular formula C54H35FN2O and a molecular weight of 746.89 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)phenyl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)phenyl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-3-amine
PubChem CID90194011
Molecular FormulaC54H35FN2O
Molecular Weight746.89 g/mol
Exact Mass746.27
IUPAC NameN-[4-(4-fluorophenyl)phenyl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-3-amine
SMILESFc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C54H35FN2O/c55-42-25-18-37(19-26-42)39-22-29-45(30-23-39)56(46-31-32-49-48-11-5-7-13-53(48)58-54(49)35-46)44-27-20-38(21-28-44)36-14-16-40(17-15-36)41-24-33-52-50(34-41)47-10-4-6-12-51(47)57(52)43-8-2-1-3-9-43/h1-35H
InChIKeyGYOVJBPRCRIHAA-UHFFFAOYSA-N
XLogP15.29
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.89
LogP ≤ 515.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)phenyl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-3-amine?
The IUPAC name of N-[4-(4-fluorophenyl)phenyl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-3-amine (CID 90194011) is N-[4-(4-fluorophenyl)phenyl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-[4-(4-fluorophenyl)phenyl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-[4-(4-fluorophenyl)phenyl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-3-amine is Fc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc1.
What is the InChIKey of N-[4-(4-fluorophenyl)phenyl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-3-amine?
The InChIKey is GYOVJBPRCRIHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35FN2O/c55-42-25-18-37(19-26-42)39-22-29-45(30-23-39)56(46-31-32-49-48-11-5-7-13-53(48)58-54(49)35-46)44-27-20-38(21-28-44)36-14-16-40(17-15-36)41-24-33-52-50(34-41)47-10-4-6-12-51(47)57(52)43-8-2-1-3-9-43/h1-35H.
What are the key properties of N-[4-(4-fluorophenyl)phenyl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-3-amine?
N-[4-(4-fluorophenyl)phenyl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-3-amine has a molecular weight of 746.89 g/mol, XLogP of 15.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)phenyl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 90194011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).