N-dibenzofuran-1-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-3-amine

C44H27NO2 — CID 170032080

IUPACN-dibenzofuran-1-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
SMILESc1ccc2c(-c3ccc(N(c4ccc5c(ccc6oc7ccccc7c65)c4)c4cccc5oc6ccccc6c45)cc3)cccc2c1
InChIInChI=1S/C44H27NO2/c1-2-11-33-28(9-1)10-7-14-34(33)29-19-22-31(23-20-29)45(38-15-8-18-41-44(38)37-13-4-6-17-40(37)46-41)32-24-25-35-30(27-32)21-26-42-43(35)36-12-3-5-16-39(36)47-42/h1-27H
InChIKeyJIHGFHMSXIGMRK-UHFFFAOYSA-N
MW601.71 g/mol
LogP12.93
Rot. Bonds4

About N-dibenzofuran-1-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-3-amine

N-dibenzofuran-1-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-3-amine (PubChem CID 170032080) has the molecular formula C44H27NO2 and a molecular weight of 601.71 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
PubChem CID170032080
Molecular FormulaC44H27NO2
Molecular Weight601.71 g/mol
Exact Mass601.20
IUPAC NameN-dibenzofuran-1-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
SMILESc1ccc2c(-c3ccc(N(c4ccc5c(ccc6oc7ccccc7c65)c4)c4cccc5oc6ccccc6c45)cc3)cccc2c1
InChIInChI=1S/C44H27NO2/c1-2-11-33-28(9-1)10-7-14-34(33)29-19-22-31(23-20-29)45(38-15-8-18-41-44(38)37-13-4-6-17-40(37)46-41)32-24-25-35-30(27-32)21-26-42-43(35)36-12-3-5-16-39(36)47-42/h1-27H
InChIKeyJIHGFHMSXIGMRK-UHFFFAOYSA-N
XLogP12.93
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.71
LogP ≤ 512.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-dibenzofuran-1-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-3-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-benzo[c]phenanthren-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 167184393
N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yldibenzofuran-1-amine
CID 166845878
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 170137601
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(3-phenanthren-2-ylphenyl)dibenzofuran-1-amine
CID 176810349
N-(4-naphthalen-1-ylphenyl)-N-naphtho[2,1-b][1]benzothiol-3-yldibenzofuran-1-amine
CID 170039765
N-(4-chrysen-6-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 170136843
N-(4-phenanthren-1-ylphenyl)-N-[4-(4-phenanthren-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810677
5-naphtho[2,1-b][1]benzofuran-2-yl-N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine
CID 170127453
N-(4-naphthalen-1-ylphenyl)-N-naphtho[2,1-b][1]benzofuran-9-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine
CID 164998659
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810710
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 147363119
N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine
CID 170031061

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-3-amine?
The IUPAC name of N-dibenzofuran-1-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-3-amine (CID 170032080) is N-dibenzofuran-1-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-3-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-3-amine?
The canonical SMILES for N-dibenzofuran-1-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-3-amine is c1ccc2c(-c3ccc(N(c4ccc5c(ccc6oc7ccccc7c65)c4)c4cccc5oc6ccccc6c45)cc3)cccc2c1.
What is the InChIKey of N-dibenzofuran-1-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-3-amine?
The InChIKey is JIHGFHMSXIGMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27NO2/c1-2-11-33-28(9-1)10-7-14-34(33)29-19-22-31(23-20-29)45(38-15-8-18-41-44(38)37-13-4-6-17-40(37)46-41)32-24-25-35-30(27-32)21-26-42-43(35)36-12-3-5-16-39(36)47-42/h1-27H.
What are the key properties of N-dibenzofuran-1-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-3-amine?
N-dibenzofuran-1-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-3-amine has a molecular weight of 601.71 g/mol, XLogP of 12.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-3-amine is sourced from PubChem (CID 170032080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).