N-[3-[2-dibenzofuran-2-yl-4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine

C58H37FN2O — CID 121443757

IUPACN-[3-[2-dibenzofuran-2-yl-4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
SMILESFc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5cccc(N(c6ccccc6)c6ccc7ccccc7c6)c5)c(-c5ccc6oc7ccccc7c6c5)c4)ccc32)cc1
InChIInChI=1S/C58H37FN2O/c59-44-25-28-46(29-26-44)61-55-19-8-6-17-50(55)53-36-41(23-31-56(53)61)40-22-30-49(52(35-40)43-24-32-58-54(37-43)51-18-7-9-20-57(51)62-58)42-13-10-16-47(34-42)60(45-14-2-1-3-15-45)48-27-21-38-11-4-5-12-39(38)33-48/h1-37H
InChIKeyYUUKUGDPLGSQLU-UHFFFAOYSA-N
MW796.95 g/mol
LogP16.45
Rot. Bonds7

About N-[3-[2-dibenzofuran-2-yl-4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine

N-[3-[2-dibenzofuran-2-yl-4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine (PubChem CID 121443757) has the molecular formula C58H37FN2O and a molecular weight of 796.95 g/mol. Its IUPAC name is N-[3-[2-dibenzofuran-2-yl-4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[3-[2-dibenzofuran-2-yl-4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
PubChem CID121443757
Molecular FormulaC58H37FN2O
Molecular Weight796.95 g/mol
Exact Mass796.29
IUPAC NameN-[3-[2-dibenzofuran-2-yl-4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
SMILESFc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5cccc(N(c6ccccc6)c6ccc7ccccc7c6)c5)c(-c5ccc6oc7ccccc7c6c5)c4)ccc32)cc1
InChIInChI=1S/C58H37FN2O/c59-44-25-28-46(29-26-44)61-55-19-8-6-17-50(55)53-36-41(23-31-56(53)61)40-22-30-49(52(35-40)43-24-32-58-54(37-43)51-18-7-9-20-57(51)62-58)42-13-10-16-47(34-42)60(45-14-2-1-3-15-45)48-27-21-38-11-4-5-12-39(38)33-48/h1-37H
InChIKeyYUUKUGDPLGSQLU-UHFFFAOYSA-N
XLogP16.45
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.95
LogP ≤ 516.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-dibenzofuran-2-yl-4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of N-[3-[2-dibenzofuran-2-yl-4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine (CID 121443757) is N-[3-[2-dibenzofuran-2-yl-4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-[3-[2-dibenzofuran-2-yl-4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-[3-[2-dibenzofuran-2-yl-4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine is Fc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5cccc(N(c6ccccc6)c6ccc7ccccc7c6)c5)c(-c5ccc6oc7ccccc7c6c5)c4)ccc32)cc1.
What is the InChIKey of N-[3-[2-dibenzofuran-2-yl-4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The InChIKey is YUUKUGDPLGSQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37FN2O/c59-44-25-28-46(29-26-44)61-55-19-8-6-17-50(55)53-36-41(23-31-56(53)61)40-22-30-49(52(35-40)43-24-32-58-54(37-43)51-18-7-9-20-57(51)62-58)42-13-10-16-47(34-42)60(45-14-2-1-3-15-45)48-27-21-38-11-4-5-12-39(38)33-48/h1-37H.
What are the key properties of N-[3-[2-dibenzofuran-2-yl-4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine?
N-[3-[2-dibenzofuran-2-yl-4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine has a molecular weight of 796.95 g/mol, XLogP of 16.45, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-dibenzofuran-2-yl-4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 121443757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).