9-[8-[3-[3-[3-(3,5-difluorophenyl)phenyl]phenyl]phenyl]dibenzofuran-2-yl]-3-phenylcarbazole

C54H33F2NO — CID 118438830

IUPAC9-[8-[3-[3-[3-(3,5-difluorophenyl)phenyl]phenyl]phenyl]dibenzofuran-2-yl]-3-phenylcarbazole
SMILESFc1cc(F)cc(-c2cccc(-c3cccc(-c4cccc(-c5ccc6oc7ccc(-n8c9ccccc9c9cc(-c%10ccccc%10)ccc98)cc7c6c5)c4)c3)c2)c1
InChIInChI=1S/C54H33F2NO/c55-44-28-43(29-45(56)32-44)40-16-8-14-38(27-40)36-12-6-11-35(25-36)37-13-7-15-39(26-37)42-20-23-53-49(31-42)50-33-46(21-24-54(50)58-53)57-51-18-5-4-17-47(51)48-30-41(19-22-52(48)57)34-9-2-1-3-10-34/h1-33H
InChIKeyBGIBWCDAPHCEMZ-UHFFFAOYSA-N
MW749.86 g/mol
LogP15.30
Rot. Bonds6

About 9-[8-[3-[3-[3-(3,5-difluorophenyl)phenyl]phenyl]phenyl]dibenzofuran-2-yl]-3-phenylcarbazole

9-[8-[3-[3-[3-(3,5-difluorophenyl)phenyl]phenyl]phenyl]dibenzofuran-2-yl]-3-phenylcarbazole (PubChem CID 118438830) has the molecular formula C54H33F2NO and a molecular weight of 749.86 g/mol. Its IUPAC name is 9-[8-[3-[3-[3-(3,5-difluorophenyl)phenyl]phenyl]phenyl]dibenzofuran-2-yl]-3-phenylcarbazole.

Molecular Properties

Compound Name9-[8-[3-[3-[3-(3,5-difluorophenyl)phenyl]phenyl]phenyl]dibenzofuran-2-yl]-3-phenylcarbazole
PubChem CID118438830
Molecular FormulaC54H33F2NO
Molecular Weight749.86 g/mol
Exact Mass749.25
IUPAC Name9-[8-[3-[3-[3-(3,5-difluorophenyl)phenyl]phenyl]phenyl]dibenzofuran-2-yl]-3-phenylcarbazole
SMILESFc1cc(F)cc(-c2cccc(-c3cccc(-c4cccc(-c5ccc6oc7ccc(-n8c9ccccc9c9cc(-c%10ccccc%10)ccc98)cc7c6c5)c4)c3)c2)c1
InChIInChI=1S/C54H33F2NO/c55-44-28-43(29-45(56)32-44)40-16-8-14-38(27-40)36-12-6-11-35(25-36)37-13-7-15-39(26-37)42-20-23-53-49(31-42)50-33-46(21-24-54(50)58-53)57-51-18-5-4-17-47(51)48-30-41(19-22-52(48)57)34-9-2-1-3-10-34/h1-33H
InChIKeyBGIBWCDAPHCEMZ-UHFFFAOYSA-N
XLogP15.30
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.86
LogP ≤ 515.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-[8-[3-[3-[3-(3,5-difluorophenyl)phenyl]phenyl]phenyl]dibenzofuran-2-yl]-3-phenylcarbazole?
The IUPAC name of 9-[8-[3-[3-[3-(3,5-difluorophenyl)phenyl]phenyl]phenyl]dibenzofuran-2-yl]-3-phenylcarbazole (CID 118438830) is 9-[8-[3-[3-[3-(3,5-difluorophenyl)phenyl]phenyl]phenyl]dibenzofuran-2-yl]-3-phenylcarbazole.
What is the SMILES notation for 9-[8-[3-[3-[3-(3,5-difluorophenyl)phenyl]phenyl]phenyl]dibenzofuran-2-yl]-3-phenylcarbazole?
The canonical SMILES for 9-[8-[3-[3-[3-(3,5-difluorophenyl)phenyl]phenyl]phenyl]dibenzofuran-2-yl]-3-phenylcarbazole is Fc1cc(F)cc(-c2cccc(-c3cccc(-c4cccc(-c5ccc6oc7ccc(-n8c9ccccc9c9cc(-c%10ccccc%10)ccc98)cc7c6c5)c4)c3)c2)c1.
What is the InChIKey of 9-[8-[3-[3-[3-(3,5-difluorophenyl)phenyl]phenyl]phenyl]dibenzofuran-2-yl]-3-phenylcarbazole?
The InChIKey is BGIBWCDAPHCEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33F2NO/c55-44-28-43(29-45(56)32-44)40-16-8-14-38(27-40)36-12-6-11-35(25-36)37-13-7-15-39(26-37)42-20-23-53-49(31-42)50-33-46(21-24-54(50)58-53)57-51-18-5-4-17-47(51)48-30-41(19-22-52(48)57)34-9-2-1-3-10-34/h1-33H.
What are the key properties of 9-[8-[3-[3-[3-(3,5-difluorophenyl)phenyl]phenyl]phenyl]dibenzofuran-2-yl]-3-phenylcarbazole?
9-[8-[3-[3-[3-(3,5-difluorophenyl)phenyl]phenyl]phenyl]dibenzofuran-2-yl]-3-phenylcarbazole has a molecular weight of 749.86 g/mol, XLogP of 15.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-[3-[3-[3-(3,5-difluorophenyl)phenyl]phenyl]phenyl]dibenzofuran-2-yl]-3-phenylcarbazole is sourced from PubChem (CID 118438830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).