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

C62H39FN2O — CID 121443764

IUPACN-[3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
SMILESFc1cccc2c(-n3c4ccccc4c4cc(-c5ccc(-c6cccc(N(c7ccccc7)c7ccc8ccccc8c7)c6)c(-c6ccc7c(c6)oc6ccccc67)c5)ccc43)cccc12
InChIInChI=1S/C62H39FN2O/c63-57-23-11-22-51-50(57)21-12-25-59(51)65-58-24-8-6-19-52(58)56-38-43(30-34-60(56)65)42-28-32-49(55(37-42)45-29-33-54-53-20-7-9-26-61(53)66-62(54)39-45)44-15-10-18-47(36-44)64(46-16-2-1-3-17-46)48-31-27-40-13-4-5-14-41(40)35-48/h1-39H
InChIKeyAUUDFHZSPCQYJE-UHFFFAOYSA-N
MW847.01 g/mol
LogP17.60
Rot. Bonds7

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

N-[3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine (PubChem CID 121443764) has the molecular formula C62H39FN2O and a molecular weight of 847.01 g/mol. Its IUPAC name is N-[3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
PubChem CID121443764
Molecular FormulaC62H39FN2O
Molecular Weight847.01 g/mol
Exact Mass846.30
IUPAC NameN-[3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
SMILESFc1cccc2c(-n3c4ccccc4c4cc(-c5ccc(-c6cccc(N(c7ccccc7)c7ccc8ccccc8c7)c6)c(-c6ccc7c(c6)oc6ccccc67)c5)ccc43)cccc12
InChIInChI=1S/C62H39FN2O/c63-57-23-11-22-51-50(57)21-12-25-59(51)65-58-24-8-6-19-52(58)56-38-43(30-34-60(56)65)42-28-32-49(55(37-42)45-29-33-54-53-20-7-9-26-61(53)66-62(54)39-45)44-15-10-18-47(36-44)64(46-16-2-1-3-17-46)48-31-27-40-13-4-5-14-41(40)35-48/h1-39H
InChIKeyAUUDFHZSPCQYJE-UHFFFAOYSA-N
XLogP17.60
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.01
LogP ≤ 517.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine 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 N-[3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of N-[3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine (CID 121443764) is N-[3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-[3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-[3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine is Fc1cccc2c(-n3c4ccccc4c4cc(-c5ccc(-c6cccc(N(c7ccccc7)c7ccc8ccccc8c7)c6)c(-c6ccc7c(c6)oc6ccccc67)c5)ccc43)cccc12.
What is the InChIKey of N-[3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The InChIKey is AUUDFHZSPCQYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39FN2O/c63-57-23-11-22-51-50(57)21-12-25-59(51)65-58-24-8-6-19-52(58)56-38-43(30-34-60(56)65)42-28-32-49(55(37-42)45-29-33-54-53-20-7-9-26-61(53)66-62(54)39-45)44-15-10-18-47(36-44)64(46-16-2-1-3-17-46)48-31-27-40-13-4-5-14-41(40)35-48/h1-39H.
What are the key properties of N-[3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine?
N-[3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine has a molecular weight of 847.01 g/mol, XLogP of 17.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-dibenzofuran-3-yl-4-[9-(5-fluoronaphthalen-1-yl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 121443764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).