N-[3-(7,8-dihydronaphtho[1,2-b][1]benzofuran-3-yl)-5-naphthalen-2-ylphenyl]-N-naphthalen-1-ylnaphthalen-1-amine

C52H35NO — CID 170281925

IUPACN-[3-(7,8-dihydronaphtho[1,2-b][1]benzofuran-3-yl)-5-naphthalen-2-ylphenyl]-N-naphthalen-1-ylnaphthalen-1-amine
SMILESC1=Cc2oc3c(ccc4cc(-c5cc(-c6ccc7ccccc7c6)cc(N(c6cccc7ccccc67)c6cccc7ccccc67)c5)ccc43)c2CC1
InChIInChI=1S/C52H35NO/c1-2-14-37-29-38(24-23-34(37)11-1)41-31-42(39-25-27-46-40(30-39)26-28-48-47-19-7-8-22-51(47)54-52(46)48)33-43(32-41)53(49-20-9-15-35-12-3-5-17-44(35)49)50-21-10-16-36-13-4-6-18-45(36)50/h1-6,8-18,20-33H,7,19H2
InChIKeyOBQAIFZDRURIKU-UHFFFAOYSA-N
MW689.86 g/mol
LogP14.81
Rot. Bonds5

About N-[3-(7,8-dihydronaphtho[1,2-b][1]benzofuran-3-yl)-5-naphthalen-2-ylphenyl]-N-naphthalen-1-ylnaphthalen-1-amine

N-[3-(7,8-dihydronaphtho[1,2-b][1]benzofuran-3-yl)-5-naphthalen-2-ylphenyl]-N-naphthalen-1-ylnaphthalen-1-amine (PubChem CID 170281925) has the molecular formula C52H35NO and a molecular weight of 689.86 g/mol. Its IUPAC name is N-[3-(7,8-dihydronaphtho[1,2-b][1]benzofuran-3-yl)-5-naphthalen-2-ylphenyl]-N-naphthalen-1-ylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[3-(7,8-dihydronaphtho[1,2-b][1]benzofuran-3-yl)-5-naphthalen-2-ylphenyl]-N-naphthalen-1-ylnaphthalen-1-amine
PubChem CID170281925
Molecular FormulaC52H35NO
Molecular Weight689.86 g/mol
Exact Mass689.27
IUPAC NameN-[3-(7,8-dihydronaphtho[1,2-b][1]benzofuran-3-yl)-5-naphthalen-2-ylphenyl]-N-naphthalen-1-ylnaphthalen-1-amine
SMILESC1=Cc2oc3c(ccc4cc(-c5cc(-c6ccc7ccccc7c6)cc(N(c6cccc7ccccc67)c6cccc7ccccc67)c5)ccc43)c2CC1
InChIInChI=1S/C52H35NO/c1-2-14-37-29-38(24-23-34(37)11-1)41-31-42(39-25-27-46-40(30-39)26-28-48-47-19-7-8-22-51(47)54-52(46)48)33-43(32-41)53(49-20-9-15-35-12-3-5-17-44(35)49)50-21-10-16-36-13-4-6-18-45(36)50/h1-6,8-18,20-33H,7,19H2
InChIKeyOBQAIFZDRURIKU-UHFFFAOYSA-N
XLogP14.81
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.86
LogP ≤ 514.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[3-(7,8-dihydronaphtho[1,2-b][1]benzofuran-3-yl)-5-naphthalen-2-ylphenyl]-N-naphthalen-1-ylnaphthalen-1-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-(8,9-dihydrodibenzofuran-4-yl)phenyl]-2-(2-naphthalen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)aniline
CID 170092461
2-(8,9-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-(3-phenanthren-3-ylphenyl)-1,3,5-triazine
CID 170134501
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738770
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738120
N,N-bis(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170272791
N-naphthalen-1-yl-N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 174256672
N-[4-(8,9-dihydrodibenzofuran-3-yl)phenyl]-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-1-amine
CID 167234370
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(3-phenylphenyl)aniline
CID 167330277
N-(3,5-diphenylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739509
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)naphthalen-1-amine
CID 167330881
N-(2,4-diphenylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737725
N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 166939002

Frequently Asked Questions

What is the IUPAC name of N-[3-(7,8-dihydronaphtho[1,2-b][1]benzofuran-3-yl)-5-naphthalen-2-ylphenyl]-N-naphthalen-1-ylnaphthalen-1-amine?
The IUPAC name of N-[3-(7,8-dihydronaphtho[1,2-b][1]benzofuran-3-yl)-5-naphthalen-2-ylphenyl]-N-naphthalen-1-ylnaphthalen-1-amine (CID 170281925) is N-[3-(7,8-dihydronaphtho[1,2-b][1]benzofuran-3-yl)-5-naphthalen-2-ylphenyl]-N-naphthalen-1-ylnaphthalen-1-amine.
What is the SMILES notation for N-[3-(7,8-dihydronaphtho[1,2-b][1]benzofuran-3-yl)-5-naphthalen-2-ylphenyl]-N-naphthalen-1-ylnaphthalen-1-amine?
The canonical SMILES for N-[3-(7,8-dihydronaphtho[1,2-b][1]benzofuran-3-yl)-5-naphthalen-2-ylphenyl]-N-naphthalen-1-ylnaphthalen-1-amine is C1=Cc2oc3c(ccc4cc(-c5cc(-c6ccc7ccccc7c6)cc(N(c6cccc7ccccc67)c6cccc7ccccc67)c5)ccc43)c2CC1.
What is the InChIKey of N-[3-(7,8-dihydronaphtho[1,2-b][1]benzofuran-3-yl)-5-naphthalen-2-ylphenyl]-N-naphthalen-1-ylnaphthalen-1-amine?
The InChIKey is OBQAIFZDRURIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NO/c1-2-14-37-29-38(24-23-34(37)11-1)41-31-42(39-25-27-46-40(30-39)26-28-48-47-19-7-8-22-51(47)54-52(46)48)33-43(32-41)53(49-20-9-15-35-12-3-5-17-44(35)49)50-21-10-16-36-13-4-6-18-45(36)50/h1-6,8-18,20-33H,7,19H2.
What are the key properties of N-[3-(7,8-dihydronaphtho[1,2-b][1]benzofuran-3-yl)-5-naphthalen-2-ylphenyl]-N-naphthalen-1-ylnaphthalen-1-amine?
N-[3-(7,8-dihydronaphtho[1,2-b][1]benzofuran-3-yl)-5-naphthalen-2-ylphenyl]-N-naphthalen-1-ylnaphthalen-1-amine has a molecular weight of 689.86 g/mol, XLogP of 14.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(7,8-dihydronaphtho[1,2-b][1]benzofuran-3-yl)-5-naphthalen-2-ylphenyl]-N-naphthalen-1-ylnaphthalen-1-amine is sourced from PubChem (CID 170281925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).