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

C44H27NO2 — CID 176616692

IUPACN-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-4-amine
SMILESc1ccc(N(c2cccc(-c3ccc4c(c3)oc3cc5ccccc5cc34)c2)c2cccc3c2ccc2oc4ccccc4c23)cc1
InChIInChI=1S/C44H27NO2/c1-2-13-32(14-3-1)45(39-18-9-17-36-34(39)22-23-41-44(36)37-16-6-7-19-40(37)46-41)33-15-8-12-28(24-33)31-20-21-35-38-25-29-10-4-5-11-30(29)26-43(38)47-42(35)27-31/h1-27H
InChIKeyOHDNILIDRGUYTK-UHFFFAOYSA-N
MW601.71 g/mol
LogP12.93
Rot. Bonds4

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

N-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-4-amine (PubChem CID 176616692) has the molecular formula C44H27NO2 and a molecular weight of 601.71 g/mol. Its IUPAC name is N-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-4-amine.

Molecular Properties

Compound NameN-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-4-amine
PubChem CID176616692
Molecular FormulaC44H27NO2
Molecular Weight601.71 g/mol
Exact Mass601.20
IUPAC NameN-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-4-amine
SMILESc1ccc(N(c2cccc(-c3ccc4c(c3)oc3cc5ccccc5cc34)c2)c2cccc3c2ccc2oc4ccccc4c23)cc1
InChIInChI=1S/C44H27NO2/c1-2-13-32(14-3-1)45(39-18-9-17-36-34(39)22-23-41-44(36)37-16-6-7-19-40(37)46-41)33-15-8-12-28(24-33)31-20-21-35-38-25-29-10-4-5-11-30(29)26-43(38)47-42(35)27-31/h1-27H
InChIKeyOHDNILIDRGUYTK-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-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-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-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 174321862
N-naphtho[2,1-b][1]benzofuran-3-yl-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 176616843
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 176616741
N-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-4-amine
CID 170032953
N-naphthalen-1-yl-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 170272670
1-N-dibenzofuran-2-yl-1-N,5-N-diphenyl-5-N-(4-phenylphenyl)naphthalene-1,5-diamine
CID 166917710
N-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 170272586
N-[3-[3-[dibenzofuran-4-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 167086293
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324392
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 167323696
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 167324119
N-(4-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine
CID 129085231

Frequently Asked Questions

What is the IUPAC name of N-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-4-amine?
The IUPAC name of N-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-4-amine (CID 176616692) is N-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-4-amine.
What is the SMILES notation for N-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-4-amine?
The canonical SMILES for N-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-4-amine is c1ccc(N(c2cccc(-c3ccc4c(c3)oc3cc5ccccc5cc34)c2)c2cccc3c2ccc2oc4ccccc4c23)cc1.
What is the InChIKey of N-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-4-amine?
The InChIKey is OHDNILIDRGUYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27NO2/c1-2-13-32(14-3-1)45(39-18-9-17-36-34(39)22-23-41-44(36)37-16-6-7-19-40(37)46-41)33-15-8-12-28(24-33)31-20-21-35-38-25-29-10-4-5-11-30(29)26-43(38)47-42(35)27-31/h1-27H.
What are the key properties of N-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-4-amine?
N-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-4-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-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-4-amine is sourced from PubChem (CID 176616692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).