N-(4-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine

C50H31NO2 — CID 171738814

IUPACN-(4-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILES[2H]c1c([2H])c(N(c2ccc(-c3cccc4ccccc34)cc2)c2cccc3oc4c5ccccc5ccc4c23)c([2H])c([2H])c1-c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C50H31NO2/c1-3-12-39-33(9-1)11-7-15-40(39)35-21-27-38(28-22-35)51(45-16-8-18-47-49(45)44-30-23-34-10-2-4-13-41(34)50(44)53-47)37-25-19-32(20-26-37)36-24-29-43-42-14-5-6-17-46(42)52-48(43)31-36/h1-31H/i19D,20D,25D,26D
InChIKeyJUMVHJOGVIGXDM-OTBHXADKSA-N
MW681.83 g/mol
LogP14.60
Rot. Bonds5

About N-(4-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine

N-(4-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171738814) has the molecular formula C50H31NO2 and a molecular weight of 681.83 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID171738814
Molecular FormulaC50H31NO2
Molecular Weight681.83 g/mol
Exact Mass681.26
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILES[2H]c1c([2H])c(N(c2ccc(-c3cccc4ccccc34)cc2)c2cccc3oc4c5ccccc5ccc4c23)c([2H])c([2H])c1-c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C50H31NO2/c1-3-12-39-33(9-1)11-7-15-40(39)35-21-27-38(28-22-35)51(45-16-8-18-47-49(45)44-30-23-34-10-2-4-13-41(34)50(44)53-47)37-25-19-32(20-26-37)36-24-29-43-42-14-5-6-17-46(42)52-48(43)31-36/h1-31H/i19D,20D,25D,26D
InChIKeyJUMVHJOGVIGXDM-OTBHXADKSA-N
XLogP14.60
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.83
LogP ≤ 514.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-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-(3-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738971
N-(4-dibenzofuran-3-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738966
N-(4-dibenzofuran-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738542
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737296
N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737613
N-dibenzofuran-3-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738699
N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738957
N-(3-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738556
N-(4-dibenzofuran-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739665
N-(4-dibenzofuran-3-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737779
N-(4-dibenzofuran-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738128
N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738946

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (CID 171738814) is N-(4-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is [2H]c1c([2H])c(N(c2ccc(-c3cccc4ccccc34)cc2)c2cccc3oc4c5ccccc5ccc4c23)c([2H])c([2H])c1-c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is JUMVHJOGVIGXDM-OTBHXADKSA-N. The full InChI is InChI=1S/C50H31NO2/c1-3-12-39-33(9-1)11-7-15-40(39)35-21-27-38(28-22-35)51(45-16-8-18-47-49(45)44-30-23-34-10-2-4-13-41(34)50(44)53-47)37-25-19-32(20-26-37)36-24-29-43-42-14-5-6-17-46(42)52-48(43)31-36/h1-31H/i19D,20D,25D,26D.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
N-(4-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 681.83 g/mol, XLogP of 14.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171738814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).