N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-3-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline

C58H38N2O — CID 167331264

IUPACN-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-3-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5oc6c7ccccc7ccc6c45)cc3)c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C58H38N2O/c1-3-13-39(14-4-1)40-25-31-46(32-26-40)59(47-33-27-42(28-34-47)49-22-12-24-56-57(49)52-35-29-41-15-7-8-20-50(41)58(52)61-56)48-19-11-16-43(37-48)44-30-36-55-53(38-44)51-21-9-10-23-54(51)60(55)45-17-5-2-6-18-45/h1-38H
InChIKeyILGZJVPUTQEXSX-UHFFFAOYSA-N
MW778.96 g/mol
LogP16.31
Rot. Bonds7

About N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-3-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline

N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-3-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline (PubChem CID 167331264) has the molecular formula C58H38N2O and a molecular weight of 778.96 g/mol. Its IUPAC name is N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-3-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-3-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline
PubChem CID167331264
Molecular FormulaC58H38N2O
Molecular Weight778.96 g/mol
Exact Mass778.30
IUPAC NameN-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-3-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5oc6c7ccccc7ccc6c45)cc3)c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C58H38N2O/c1-3-13-39(14-4-1)40-25-31-46(32-26-40)59(47-33-27-42(28-34-47)49-22-12-24-56-57(49)52-35-29-41-15-7-8-20-50(41)58(52)61-56)48-19-11-16-43(37-48)44-30-36-55-53(38-44)51-21-9-10-23-54(51)60(55)45-17-5-2-6-18-45/h1-38H
InChIKeyILGZJVPUTQEXSX-UHFFFAOYSA-N
XLogP16.31
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.96
LogP ≤ 516.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-3-(9-phenylcarbazol-3-yl)-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

Related Compounds

N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 166939040
N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-naphthalen-1-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 166939403
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-3-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)aniline
CID 167329894
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170272106
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738867
N-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167331207
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-[4-[4-[2-[2-(N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-4-phenylanilino)phenyl]carbazol-9-yl]phenyl]phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 166939041
N-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-phenyl-3-(9-phenylcarbazol-3-yl)aniline
CID 155318425
N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 163860911
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-2-amine
CID 167329439
N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[3-(6-phenyldibenzofuran-1-yl)phenyl]aniline
CID 155649265
N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 166939681

Frequently Asked Questions

What is the IUPAC name of N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-3-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline?
The IUPAC name of N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-3-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline (CID 167331264) is N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-3-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-3-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-3-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc5oc6c7ccccc7ccc6c45)cc3)c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-3-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline?
The InChIKey is ILGZJVPUTQEXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2O/c1-3-13-39(14-4-1)40-25-31-46(32-26-40)59(47-33-27-42(28-34-47)49-22-12-24-56-57(49)52-35-29-41-15-7-8-20-50(41)58(52)61-56)48-19-11-16-43(37-48)44-30-36-55-53(38-44)51-21-9-10-23-54(51)60(55)45-17-5-2-6-18-45/h1-38H.
What are the key properties of N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-3-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline?
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-3-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline has a molecular weight of 778.96 g/mol, XLogP of 16.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-3-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 167331264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).