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

C60H39FN2O — CID 121443770

IUPAC3-[3-[3-dibenzofuran-2-yl-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N,N-diphenylaniline
SMILESFc1ccc(-n2c3ccccc3c3cc(-c4cc(-c5cccc(-c6cccc(N(c7ccccc7)c7ccccc7)c6)c5)cc(-c5ccc6oc7ccccc7c6c5)c4)ccc32)cc1
InChIInChI=1S/C60H39FN2O/c61-48-27-29-51(30-28-48)63-57-23-9-7-21-53(57)55-38-43(25-31-58(55)63)46-34-45(35-47(36-46)44-26-32-60-56(39-44)54-22-8-10-24-59(54)64-60)41-14-11-13-40(33-41)42-15-12-20-52(37-42)62(49-16-3-1-4-17-49)50-18-5-2-6-19-50/h1-39H
InChIKeyKCGXODDWGIZCJP-UHFFFAOYSA-N
MW822.98 g/mol
LogP16.96
Rot. Bonds8

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

3-[3-[3-dibenzofuran-2-yl-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N,N-diphenylaniline (PubChem CID 121443770) has the molecular formula C60H39FN2O and a molecular weight of 822.98 g/mol. Its IUPAC name is 3-[3-[3-dibenzofuran-2-yl-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name3-[3-[3-dibenzofuran-2-yl-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N,N-diphenylaniline
PubChem CID121443770
Molecular FormulaC60H39FN2O
Molecular Weight822.98 g/mol
Exact Mass822.30
IUPAC Name3-[3-[3-dibenzofuran-2-yl-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N,N-diphenylaniline
SMILESFc1ccc(-n2c3ccccc3c3cc(-c4cc(-c5cccc(-c6cccc(N(c7ccccc7)c7ccccc7)c6)c5)cc(-c5ccc6oc7ccccc7c6c5)c4)ccc32)cc1
InChIInChI=1S/C60H39FN2O/c61-48-27-29-51(30-28-48)63-57-23-9-7-21-53(57)55-38-43(25-31-58(55)63)46-34-45(35-47(36-46)44-26-32-60-56(39-44)54-22-8-10-24-59(54)64-60)41-14-11-13-40(33-41)42-15-12-20-52(37-42)62(49-16-3-1-4-17-49)50-18-5-2-6-19-50/h1-39H
InChIKeyKCGXODDWGIZCJP-UHFFFAOYSA-N
XLogP16.96
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.98
LogP ≤ 516.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-dibenzofuran-2-yl-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N,N-diphenylaniline?
The IUPAC name of 3-[3-[3-dibenzofuran-2-yl-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N,N-diphenylaniline (CID 121443770) is 3-[3-[3-dibenzofuran-2-yl-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N,N-diphenylaniline.
What is the SMILES notation for 3-[3-[3-dibenzofuran-2-yl-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N,N-diphenylaniline?
The canonical SMILES for 3-[3-[3-dibenzofuran-2-yl-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N,N-diphenylaniline is Fc1ccc(-n2c3ccccc3c3cc(-c4cc(-c5cccc(-c6cccc(N(c7ccccc7)c7ccccc7)c6)c5)cc(-c5ccc6oc7ccccc7c6c5)c4)ccc32)cc1.
What is the InChIKey of 3-[3-[3-dibenzofuran-2-yl-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N,N-diphenylaniline?
The InChIKey is KCGXODDWGIZCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39FN2O/c61-48-27-29-51(30-28-48)63-57-23-9-7-21-53(57)55-38-43(25-31-58(55)63)46-34-45(35-47(36-46)44-26-32-60-56(39-44)54-22-8-10-24-59(54)64-60)41-14-11-13-40(33-41)42-15-12-20-52(37-42)62(49-16-3-1-4-17-49)50-18-5-2-6-19-50/h1-39H.
What are the key properties of 3-[3-[3-dibenzofuran-2-yl-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N,N-diphenylaniline?
3-[3-[3-dibenzofuran-2-yl-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N,N-diphenylaniline has a molecular weight of 822.98 g/mol, XLogP of 16.96, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-dibenzofuran-2-yl-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N,N-diphenylaniline is sourced from PubChem (CID 121443770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).