3-dibenzofuran-3-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine

C58H35NO2S — CID 171435238

IUPAC3-dibenzofuran-3-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine
SMILESc1ccc2cc(-c3ccc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4c(-c5ccc6c(c5)oc5ccccc56)ccc5c4oc4ccccc45)cc3)ccc2c1
InChIInChI=1S/C58H35NO2S/c1-2-10-39-33-40(18-17-36(39)9-1)37-19-25-43(26-20-37)59(44-27-21-38(22-28-44)41-24-32-56-51(34-41)49-13-5-8-16-55(49)62-56)57-45(30-31-50-47-12-4-7-15-53(47)61-58(50)57)42-23-29-48-46-11-3-6-14-52(46)60-54(48)35-42/h1-35H
InChIKeyRSEQKVQZVOAMNC-UHFFFAOYSA-N
MW809.99 g/mol
LogP17.48
Rot. Bonds6

About 3-dibenzofuran-3-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine

3-dibenzofuran-3-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine (PubChem CID 171435238) has the molecular formula C58H35NO2S and a molecular weight of 809.99 g/mol. Its IUPAC name is 3-dibenzofuran-3-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound Name3-dibenzofuran-3-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine
PubChem CID171435238
Molecular FormulaC58H35NO2S
Molecular Weight809.99 g/mol
Exact Mass809.24
IUPAC Name3-dibenzofuran-3-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine
SMILESc1ccc2cc(-c3ccc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4c(-c5ccc6c(c5)oc5ccccc56)ccc5c4oc4ccccc45)cc3)ccc2c1
InChIInChI=1S/C58H35NO2S/c1-2-10-39-33-40(18-17-36(39)9-1)37-19-25-43(26-20-37)59(44-27-21-38(22-28-44)41-24-32-56-51(34-41)49-13-5-8-16-55(49)62-56)57-45(30-31-50-47-12-4-7-15-53(47)61-58(50)57)42-23-29-48-46-11-3-6-14-52(46)60-54(48)35-42/h1-35H
InChIKeyRSEQKVQZVOAMNC-UHFFFAOYSA-N
XLogP17.48
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.99
LogP ≤ 517.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-dibenzofuran-3-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-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-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 171435290
N-dibenzothiophen-3-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyldibenzofuran-4-amine
CID 171435439
N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 171435294
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-3-phenyldibenzofuran-4-amine
CID 171435096
N-(4-dibenzofuran-4-ylphenyl)-3-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 171434796
N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 171435306
N-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-3-phenyldibenzofuran-4-amine
CID 171435325
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(3-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine
CID 171435473
N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-yl-3-phenyldibenzothiophen-4-amine
CID 171435403
N-(4-dibenzofuran-4-ylphenyl)-3-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 168767541
N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-3-amine
CID 163950326
3-phenyl-N-[4-(6-phenyldibenzothiophen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 171434586

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-3-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine?
The IUPAC name of 3-dibenzofuran-3-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine (CID 171435238) is 3-dibenzofuran-3-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for 3-dibenzofuran-3-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine?
The canonical SMILES for 3-dibenzofuran-3-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine is c1ccc2cc(-c3ccc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4c(-c5ccc6c(c5)oc5ccccc56)ccc5c4oc4ccccc45)cc3)ccc2c1.
What is the InChIKey of 3-dibenzofuran-3-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine?
The InChIKey is RSEQKVQZVOAMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35NO2S/c1-2-10-39-33-40(18-17-36(39)9-1)37-19-25-43(26-20-37)59(44-27-21-38(22-28-44)41-24-32-56-51(34-41)49-13-5-8-16-55(49)62-56)57-45(30-31-50-47-12-4-7-15-53(47)61-58(50)57)42-23-29-48-46-11-3-6-14-52(46)60-54(48)35-42/h1-35H.
What are the key properties of 3-dibenzofuran-3-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine?
3-dibenzofuran-3-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine has a molecular weight of 809.99 g/mol, XLogP of 17.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-3-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 171435238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).