N-dibenzofuran-1-yl-N-(2-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine

C46H27NO2S — CID 171738791

IUPACN-dibenzofuran-1-yl-N-(2-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(N(c2cccc3oc4ccccc4c23)c2cccc3oc4c5ccccc5ccc4c23)c(-c2ccc3sc4ccccc4c3c2)c1
InChIInChI=1S/C46H27NO2S/c1-2-13-31-28(11-1)23-25-34-45-38(18-10-21-41(45)49-46(31)34)47(37-17-9-20-40-44(37)33-15-4-7-19-39(33)48-40)36-16-6-3-12-30(36)29-24-26-43-35(27-29)32-14-5-8-22-42(32)50-43/h1-27H
InChIKeyYBFYKNJDBRROEV-UHFFFAOYSA-N
MW657.79 g/mol
LogP14.14
Rot. Bonds4

About N-dibenzofuran-1-yl-N-(2-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine

N-dibenzofuran-1-yl-N-(2-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171738791) has the molecular formula C46H27NO2S and a molecular weight of 657.79 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-(2-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-N-(2-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID171738791
Molecular FormulaC46H27NO2S
Molecular Weight657.79 g/mol
Exact Mass657.18
IUPAC NameN-dibenzofuran-1-yl-N-(2-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(N(c2cccc3oc4ccccc4c23)c2cccc3oc4c5ccccc5ccc4c23)c(-c2ccc3sc4ccccc4c3c2)c1
InChIInChI=1S/C46H27NO2S/c1-2-13-31-28(11-1)23-25-34-45-38(18-10-21-41(45)49-46(31)34)47(37-17-9-20-40-44(37)33-15-4-7-19-39(33)48-40)36-16-6-3-12-30(36)29-24-26-43-35(27-29)32-14-5-8-22-42(32)50-43/h1-27H
InChIKeyYBFYKNJDBRROEV-UHFFFAOYSA-N
XLogP14.14
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.79
LogP ≤ 514.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-dibenzofuran-1-yl-N-(2-dibenzothiophen-2-ylphenyl)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-(2-dibenzothiophen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739547
N-(3-dibenzothiophen-2-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738238
N-(2-dibenzothiophen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186597
N-(4-dibenzothiophen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline
CID 166939739
N-(4-dibenzothiophen-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline
CID 167330057
N-(4-dibenzothiophen-2-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine
CID 171737614
N-(2-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine
CID 167326338
N-(4-naphthalen-1-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)dibenzothiophen-2-amine
CID 174292259
N-(2-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738021
N-dibenzofuran-1-yl-N-(4-dibenzothiophen-4-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737320
N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-2-amine
CID 167329695
N-dibenzothiophen-2-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739402

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-(2-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-dibenzofuran-1-yl-N-(2-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (CID 171738791) is N-dibenzofuran-1-yl-N-(2-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-N-(2-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-dibenzofuran-1-yl-N-(2-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is c1ccc(N(c2cccc3oc4ccccc4c23)c2cccc3oc4c5ccccc5ccc4c23)c(-c2ccc3sc4ccccc4c3c2)c1.
What is the InChIKey of N-dibenzofuran-1-yl-N-(2-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is YBFYKNJDBRROEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27NO2S/c1-2-13-31-28(11-1)23-25-34-45-38(18-10-21-41(45)49-46(31)34)47(37-17-9-20-40-44(37)33-15-4-7-19-39(33)48-40)36-16-6-3-12-30(36)29-24-26-43-35(27-29)32-14-5-8-22-42(32)50-43/h1-27H.
What are the key properties of N-dibenzofuran-1-yl-N-(2-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
N-dibenzofuran-1-yl-N-(2-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 657.79 g/mol, XLogP of 14.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-N-(2-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171738791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).