N-[3-[3-[3-dibenzofuran-3-yl-5-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine

C64H41FN2O — CID 121443782

IUPACN-[3-[3-[3-dibenzofuran-3-yl-5-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
SMILESFc1ccc(-n2c3ccccc3c3ccc(-c4cc(-c5cccc(-c6cccc(N(c7ccccc7)c7ccc8ccccc8c7)c6)c5)cc(-c5ccc6c(c5)oc5ccccc56)c4)cc32)cc1
InChIInChI=1S/C64H41FN2O/c65-52-27-30-54(31-28-52)67-61-22-8-6-20-57(61)58-32-25-47(40-62(58)67)50-35-49(36-51(37-50)48-26-33-60-59-21-7-9-23-63(59)68-64(60)41-48)44-15-10-14-43(34-44)46-16-11-19-55(39-46)66(53-17-2-1-3-18-53)56-29-24-42-12-4-5-13-45(42)38-56/h1-41H
InChIKeyWSTUZHPXNRRXFL-UHFFFAOYSA-N
MW873.04 g/mol
LogP18.11
Rot. Bonds8

About N-[3-[3-[3-dibenzofuran-3-yl-5-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine

N-[3-[3-[3-dibenzofuran-3-yl-5-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine (PubChem CID 121443782) has the molecular formula C64H41FN2O and a molecular weight of 873.04 g/mol. Its IUPAC name is N-[3-[3-[3-dibenzofuran-3-yl-5-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[3-[3-[3-dibenzofuran-3-yl-5-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
PubChem CID121443782
Molecular FormulaC64H41FN2O
Molecular Weight873.04 g/mol
Exact Mass872.32
IUPAC NameN-[3-[3-[3-dibenzofuran-3-yl-5-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
SMILESFc1ccc(-n2c3ccccc3c3ccc(-c4cc(-c5cccc(-c6cccc(N(c7ccccc7)c7ccc8ccccc8c7)c6)c5)cc(-c5ccc6c(c5)oc5ccccc56)c4)cc32)cc1
InChIInChI=1S/C64H41FN2O/c65-52-27-30-54(31-28-52)67-61-22-8-6-20-57(61)58-32-25-47(40-62(58)67)50-35-49(36-51(37-50)48-26-33-60-59-21-7-9-23-63(59)68-64(60)41-48)44-15-10-14-43(34-44)46-16-11-19-55(39-46)66(53-17-2-1-3-18-53)56-29-24-42-12-4-5-13-45(42)38-56/h1-41H
InChIKeyWSTUZHPXNRRXFL-UHFFFAOYSA-N
XLogP18.11
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.04
LogP ≤ 518.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[3-dibenzofuran-3-yl-5-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of N-[3-[3-[3-dibenzofuran-3-yl-5-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine (CID 121443782) is N-[3-[3-[3-dibenzofuran-3-yl-5-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-[3-[3-[3-dibenzofuran-3-yl-5-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-[3-[3-[3-dibenzofuran-3-yl-5-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine is Fc1ccc(-n2c3ccccc3c3ccc(-c4cc(-c5cccc(-c6cccc(N(c7ccccc7)c7ccc8ccccc8c7)c6)c5)cc(-c5ccc6c(c5)oc5ccccc56)c4)cc32)cc1.
What is the InChIKey of N-[3-[3-[3-dibenzofuran-3-yl-5-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The InChIKey is WSTUZHPXNRRXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41FN2O/c65-52-27-30-54(31-28-52)67-61-22-8-6-20-57(61)58-32-25-47(40-62(58)67)50-35-49(36-51(37-50)48-26-33-60-59-21-7-9-23-63(59)68-64(60)41-48)44-15-10-14-43(34-44)46-16-11-19-55(39-46)66(53-17-2-1-3-18-53)56-29-24-42-12-4-5-13-45(42)38-56/h1-41H.
What are the key properties of N-[3-[3-[3-dibenzofuran-3-yl-5-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine?
N-[3-[3-[3-dibenzofuran-3-yl-5-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine has a molecular weight of 873.04 g/mol, XLogP of 18.11, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[3-dibenzofuran-3-yl-5-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 121443782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).