N-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-naphthalen-2-yldibenzofuran-4-amine

C44H27NO2 — CID 129085297

IUPACN-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-naphthalen-2-yldibenzofuran-4-amine
SMILESc1ccc2cc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)c4ccccc34)c3cccc4c3oc3ccccc34)ccc2c1
InChIInChI=1S/C44H27NO2/c1-2-11-29-26-31(22-20-28(29)10-1)45(40-17-9-16-37-35-14-5-8-19-42(35)47-44(37)40)39-24-23-32(33-12-3-4-13-34(33)39)30-21-25-43-38(27-30)36-15-6-7-18-41(36)46-43/h1-27H
InChIKeyRLMCVBGRIXHMGZ-UHFFFAOYSA-N
MW601.71 g/mol
LogP12.93
Rot. Bonds4

About N-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-naphthalen-2-yldibenzofuran-4-amine

N-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-naphthalen-2-yldibenzofuran-4-amine (PubChem CID 129085297) has the molecular formula C44H27NO2 and a molecular weight of 601.71 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-naphthalen-2-yldibenzofuran-4-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-naphthalen-2-yldibenzofuran-4-amine
PubChem CID129085297
Molecular FormulaC44H27NO2
Molecular Weight601.71 g/mol
Exact Mass601.20
IUPAC NameN-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-naphthalen-2-yldibenzofuran-4-amine
SMILESc1ccc2cc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)c4ccccc34)c3cccc4c3oc3ccccc34)ccc2c1
InChIInChI=1S/C44H27NO2/c1-2-11-29-26-31(22-20-28(29)10-1)45(40-17-9-16-37-35-14-5-8-19-42(35)47-44(37)40)39-24-23-32(33-12-3-4-13-34(33)39)30-21-25-43-38(27-30)36-15-6-7-18-41(36)46-43/h1-27H
InChIKeyRLMCVBGRIXHMGZ-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-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-naphthalen-2-yldibenzofuran-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-dibenzofuran-2-ylnaphthalen-1-yl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine
CID 129085302
N-(2-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 157465119
N-naphthalen-2-yl-N-(7-naphthalen-1-ylnaphthalen-1-yl)dibenzofuran-2-amine
CID 176588089
N-(4-dibenzofuran-4-yl-3-phenylphenyl)-N-naphthalen-2-yldibenzofuran-4-amine;N-(4-dibenzofuran-4-yl-3-phenylphenyl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine;N-(4-dibenzofuran-4-yl-3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine;N-(4-dibenzofuran-4-yl-3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 158603795
N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-4-amine
CID 170130871
N-naphthalen-2-yl-N,16-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-amine
CID 171050314
N-naphthalen-2-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-4-amine
CID 172501495
N-naphthalen-2-yl-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 172502504
N-(2-naphtho[2,3-b][1]benzofuran-2-ylphenyl)-N-(4-phenanthren-1-ylphenyl)dibenzofuran-4-amine
CID 174285658
N-dibenzofuran-3-yl-N-(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804139
N-(2-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 167326443
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine
CID 170535179

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-naphthalen-2-yldibenzofuran-4-amine?
The IUPAC name of N-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-naphthalen-2-yldibenzofuran-4-amine (CID 129085297) is N-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-naphthalen-2-yldibenzofuran-4-amine.
What is the SMILES notation for N-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-naphthalen-2-yldibenzofuran-4-amine?
The canonical SMILES for N-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-naphthalen-2-yldibenzofuran-4-amine is c1ccc2cc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)c4ccccc34)c3cccc4c3oc3ccccc34)ccc2c1.
What is the InChIKey of N-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-naphthalen-2-yldibenzofuran-4-amine?
The InChIKey is RLMCVBGRIXHMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27NO2/c1-2-11-29-26-31(22-20-28(29)10-1)45(40-17-9-16-37-35-14-5-8-19-42(35)47-44(37)40)39-24-23-32(33-12-3-4-13-34(33)39)30-21-25-43-38(27-30)36-15-6-7-18-41(36)46-43/h1-27H.
What are the key properties of N-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-naphthalen-2-yldibenzofuran-4-amine?
N-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-naphthalen-2-yldibenzofuran-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-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-naphthalen-2-yldibenzofuran-4-amine is sourced from PubChem (CID 129085297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).