3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-[4-[4-(trifluoromethyl)phenyl]quinazolin-2-yl]carbazole

C57H33F3N4O — CID 138475054

IUPAC3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-[4-[4-(trifluoromethyl)phenyl]quinazolin-2-yl]carbazole
SMILESFC(F)(F)c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6oc7cccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)c7c6c5)ccc43)nc3ccccc23)cc1
InChIInChI=1S/C57H33F3N4O/c58-57(59,60)38-26-21-34(22-27-38)55-43-15-4-7-17-47(43)61-56(62-55)64-49-19-9-6-14-42(49)44-31-35(23-28-51(44)64)36-25-30-52-46(32-36)54-40(16-10-20-53(54)65-52)37-24-29-50-45(33-37)41-13-5-8-18-48(41)63(50)39-11-2-1-3-12-39/h1-33H
InChIKeyFFSCZEMIOFNRBV-UHFFFAOYSA-N
MW846.91 g/mol
LogP15.74
Rot. Bonds5

About 3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-[4-[4-(trifluoromethyl)phenyl]quinazolin-2-yl]carbazole

3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-[4-[4-(trifluoromethyl)phenyl]quinazolin-2-yl]carbazole (PubChem CID 138475054) has the molecular formula C57H33F3N4O and a molecular weight of 846.91 g/mol. Its IUPAC name is 3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-[4-[4-(trifluoromethyl)phenyl]quinazolin-2-yl]carbazole.

Molecular Properties

Compound Name3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-[4-[4-(trifluoromethyl)phenyl]quinazolin-2-yl]carbazole
PubChem CID138475054
Molecular FormulaC57H33F3N4O
Molecular Weight846.91 g/mol
Exact Mass846.26
IUPAC Name3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-[4-[4-(trifluoromethyl)phenyl]quinazolin-2-yl]carbazole
SMILESFC(F)(F)c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6oc7cccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)c7c6c5)ccc43)nc3ccccc23)cc1
InChIInChI=1S/C57H33F3N4O/c58-57(59,60)38-26-21-34(22-27-38)55-43-15-4-7-17-47(43)61-56(62-55)64-49-19-9-6-14-42(49)44-31-35(23-28-51(44)64)36-25-30-52-46(32-36)54-40(16-10-20-53(54)65-52)37-24-29-50-45(33-37)41-13-5-8-18-48(41)63(50)39-11-2-1-3-12-39/h1-33H
InChIKeyFFSCZEMIOFNRBV-UHFFFAOYSA-N
XLogP15.74
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.91
LogP ≤ 515.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-[4-[4-(trifluoromethyl)phenyl]quinazolin-2-yl]carbazole 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-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-[4-[4-(trifluoromethyl)phenyl]quinazolin-2-yl]carbazole?
The IUPAC name of 3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-[4-[4-(trifluoromethyl)phenyl]quinazolin-2-yl]carbazole (CID 138475054) is 3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-[4-[4-(trifluoromethyl)phenyl]quinazolin-2-yl]carbazole.
What is the SMILES notation for 3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-[4-[4-(trifluoromethyl)phenyl]quinazolin-2-yl]carbazole?
The canonical SMILES for 3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-[4-[4-(trifluoromethyl)phenyl]quinazolin-2-yl]carbazole is FC(F)(F)c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6oc7cccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)c7c6c5)ccc43)nc3ccccc23)cc1.
What is the InChIKey of 3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-[4-[4-(trifluoromethyl)phenyl]quinazolin-2-yl]carbazole?
The InChIKey is FFSCZEMIOFNRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H33F3N4O/c58-57(59,60)38-26-21-34(22-27-38)55-43-15-4-7-17-47(43)61-56(62-55)64-49-19-9-6-14-42(49)44-31-35(23-28-51(44)64)36-25-30-52-46(32-36)54-40(16-10-20-53(54)65-52)37-24-29-50-45(33-37)41-13-5-8-18-48(41)63(50)39-11-2-1-3-12-39/h1-33H.
What are the key properties of 3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-[4-[4-(trifluoromethyl)phenyl]quinazolin-2-yl]carbazole?
3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-[4-[4-(trifluoromethyl)phenyl]quinazolin-2-yl]carbazole has a molecular weight of 846.91 g/mol, XLogP of 15.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-[4-[4-(trifluoromethyl)phenyl]quinazolin-2-yl]carbazole is sourced from PubChem (CID 138475054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).