3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-2-yl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline

C64H41FN2O — CID 121443804

IUPAC3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-2-yl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
SMILESFc1cccc2c(-n3c4ccccc4c4ccc(-c5ccc(-c6cccc(N(c7ccccc7)c7ccc(-c8ccccc8)cc7)c6)c(-c6ccc7c(c6)oc6ccccc67)c5)cc43)cccc12
InChIInChI=1S/C64H41FN2O/c65-59-24-12-23-53-52(59)22-13-26-61(53)67-60-25-9-7-20-54(60)55-36-31-45(40-62(55)67)44-30-35-51(58(39-44)47-32-37-57-56-21-8-10-27-63(56)68-64(57)41-47)46-16-11-19-50(38-46)66(48-17-5-2-6-18-48)49-33-28-43(29-34-49)42-14-3-1-4-15-42/h1-41H
InChIKeyGCUGFRGKYJFLDN-UHFFFAOYSA-N
MW873.04 g/mol
LogP18.11
Rot. Bonds8

About 3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-2-yl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline

3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-2-yl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 121443804) has the molecular formula C64H41FN2O and a molecular weight of 873.04 g/mol. Its IUPAC name is 3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-2-yl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-2-yl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
PubChem CID121443804
Molecular FormulaC64H41FN2O
Molecular Weight873.04 g/mol
Exact Mass872.32
IUPAC Name3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-2-yl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
SMILESFc1cccc2c(-n3c4ccccc4c4ccc(-c5ccc(-c6cccc(N(c7ccccc7)c7ccc(-c8ccccc8)cc7)c6)c(-c6ccc7c(c6)oc6ccccc67)c5)cc43)cccc12
InChIInChI=1S/C64H41FN2O/c65-59-24-12-23-53-52(59)22-13-26-61(53)67-60-25-9-7-20-54(60)55-36-31-45(40-62(55)67)44-30-35-51(58(39-44)47-32-37-57-56-21-8-10-27-63(56)68-64(57)41-47)46-16-11-19-50(38-46)66(48-17-5-2-6-18-48)49-33-28-43(29-34-49)42-14-3-1-4-15-42/h1-41H
InChIKeyGCUGFRGKYJFLDN-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

Analyze 3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-2-yl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-2-yl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of 3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-2-yl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline (CID 121443804) is 3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-2-yl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-2-yl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for 3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-2-yl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline is Fc1cccc2c(-n3c4ccccc4c4ccc(-c5ccc(-c6cccc(N(c7ccccc7)c7ccc(-c8ccccc8)cc7)c6)c(-c6ccc7c(c6)oc6ccccc67)c5)cc43)cccc12.
What is the InChIKey of 3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-2-yl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is GCUGFRGKYJFLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41FN2O/c65-59-24-12-23-53-52(59)22-13-26-61(53)67-60-25-9-7-20-54(60)55-36-31-45(40-62(55)67)44-30-35-51(58(39-44)47-32-37-57-56-21-8-10-27-63(56)68-64(57)41-47)46-16-11-19-50(38-46)66(48-17-5-2-6-18-48)49-33-28-43(29-34-49)42-14-3-1-4-15-42/h1-41H.
What are the key properties of 3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-2-yl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline?
3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-2-yl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline 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 3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-2-yl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 121443804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).