N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine

C58H37NOS — CID 171738155

IUPACN-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4cccc(-c5ccc6sc7ccccc7c6c5)c4)c4cccc5oc6c7ccccc7ccc6c45)cc3)c2)cc1
InChIInChI=1S/C58H37NOS/c1-3-13-38(14-4-1)44-33-45(39-15-5-2-6-16-39)35-46(34-44)40-25-29-47(30-26-40)59(53-22-12-23-54-57(53)51-31-27-41-17-7-8-20-49(41)58(51)60-54)48-19-11-18-42(36-48)43-28-32-56-52(37-43)50-21-9-10-24-55(50)61-56/h1-37H
InChIKeyTYTDJPNQPRXHGI-UHFFFAOYSA-N
MW796.01 g/mol
LogP17.24
Rot. Bonds7

About N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine

N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171738155) has the molecular formula C58H37NOS and a molecular weight of 796.01 g/mol. Its IUPAC name is N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID171738155
Molecular FormulaC58H37NOS
Molecular Weight796.01 g/mol
Exact Mass795.26
IUPAC NameN-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4cccc(-c5ccc6sc7ccccc7c6c5)c4)c4cccc5oc6c7ccccc7ccc6c45)cc3)c2)cc1
InChIInChI=1S/C58H37NOS/c1-3-13-38(14-4-1)44-33-45(39-15-5-2-6-16-39)35-46(34-44)40-25-29-47(30-26-40)59(53-22-12-23-54-57(53)51-31-27-41-17-7-8-20-49(41)58(51)60-54)48-19-11-18-42(36-48)43-28-32-56-52(37-43)50-21-9-10-24-55(50)61-56/h1-37H
InChIKeyTYTDJPNQPRXHGI-UHFFFAOYSA-N
XLogP17.24
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.01
LogP ≤ 517.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine 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-(3-dibenzothiophen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739447
N-(4-dibenzothiophen-2-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine
CID 171737614
N-dibenzothiophen-3-yl-N-[4-(3,5-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737953
N-(3-dibenzothiophen-2-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738238
N-(4-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737711
N-(4-dibenzothiophen-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline
CID 167330057
N-(4-dibenzothiophen-2-ylphenyl)-3-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenylphenyl)aniline
CID 167331407
N-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737951
N-dibenzothiophen-2-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739402
N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738345
N-(3-dibenzothiophen-1-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine
CID 171738819
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738120

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (CID 171738155) is N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4cccc(-c5ccc6sc7ccccc7c6c5)c4)c4cccc5oc6c7ccccc7ccc6c45)cc3)c2)cc1.
What is the InChIKey of N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is TYTDJPNQPRXHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NOS/c1-3-13-38(14-4-1)44-33-45(39-15-5-2-6-16-39)35-46(34-44)40-25-29-47(30-26-40)59(53-22-12-23-54-57(53)51-31-27-41-17-7-8-20-49(41)58(51)60-54)48-19-11-18-42(36-48)43-28-32-56-52(37-43)50-21-9-10-24-55(50)61-56/h1-37H.
What are the key properties of N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 796.01 g/mol, XLogP of 17.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171738155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).